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Chemical ID: 7271882
Chemical ID:
7271882
Name [?]:
1-ethyl-3-(5-isopropyl-4-oxo-oxazol-2-yl)-urea
SMILES [?]:
CCNC(=O)NC1=NC(=O)C(O1)C(C)C
InChi [?]:
InChI=1/C9H15N3O3/c1-4-10-8(14)12-9-11-7(13)6(15-9)5(2)3/h5-6H,4H2,1-3H3,(H2,10,11,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,15,2,13,11,9,4,7,3,8,6,10,5,12/E:(2,3)/rA:15cCCNCONCNCOCOCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s9;s7s11;s11;s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H15N3O3 |
All Atoms: | 30 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.10353 |
Area: | 398.287 |
Solvation: | -2.85364 |
Coulombic: | -59.2975 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 213.234 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.42 |
LogP (Chemaxon): | 0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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