Chemical ID: 5633338

Cc1ccc2c(c1)oc(n2)c3ccc(cc3)C(=O)OC
Chemical ID:
5633338
Name [?]:
methyl 4-(6-methylbenzooxazol-2-yl)benzoate
SMILES [?]:
Cc1ccc2c(c1)oc(n2)c3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C16H13NO3/c1-10-3-8-13-14(9-10)20-15(17-13)11-4-6-12(7-5-11)16(18)19-2/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,3,12,16,13,15,4,7,2,11,14,5,6,9,17,10,18,19,8/E:(4,5)(6,7)/rA:20nCCCCCCCOCNCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s9;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.41946
Area:464.181
Solvation:-2.18506
Coulombic:-36.1703
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.279
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.53
LogP (Chemaxon):4.03

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Descriptor Annotations

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