1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid

C19H13ClN2O3 — CID 22394375

IUPAC1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H13ClN2O3/c20-14-7-5-12(6-8-14)18-10-15(21-25-18)11-22-16-4-2-1-3-13(16)9-17(22)19(23)24/h1-10H,11H2,(H,23,24)
InChIKeyBXFXPFGAFHCTJK-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.70
Rot. Bonds4

About 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid

1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid (PubChem CID 22394375) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid
PubChem CID22394375
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C19H13ClN2O3/c20-14-7-5-12(6-8-14)18-10-15(21-25-18)11-22-16-4-2-1-3-13(16)9-17(22)19(23)24/h1-10H,11H2,(H,23,24)
InChIKeyBXFXPFGAFHCTJK-UHFFFAOYSA-N
XLogP4.70
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801030
1-{[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801095
5-((2-Carboxy-1H-benzo[g]indol-1-yl)methyl)isoxazole-3-carboxylic acid
CID 46398842
1-(4-Chlorobenzyl)-1H-indole-2-carboxylic acid
CID 22310899
5-Chloro-1-(3-nitro-benzyl)-1H-indole-2-carboxylic acid
CID 44353370
5-[1-[(3-Chlorophenyl)methyl]-3-cyanoindol-5-yl]-1,2-oxazole-3-carboxylic acid
CID 175428991
5-[1-[(4-Chlorophenyl)methyl]-3-cyanoindol-5-yl]-1,2-oxazole-3-carboxylic acid
CID 175429005
5-(1-Benzylindol-3-yl)isoxazole-3-carboxylic acid
CID 15958516
3-(4-Fluorophenyl)-5-(1-methylindol-2-yl)-1,2-oxazole
CID 71460049
5-[1-[(2-Chlorophenyl)methyl]-3-cyanoindol-5-yl]-1,2-oxazole-3-carboxylic acid
CID 177373892
3-(1-Butylindol-2-yl)-5,7-dichloro-2,1-benzoxazole
CID 178340449
6-Chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid
CID 134224175

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid?
The IUPAC name of 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid (CID 22394375) is 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid?
The canonical SMILES for 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid is O=C(O)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid?
The InChIKey is BXFXPFGAFHCTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-14-7-5-12(6-8-14)18-10-15(21-25-18)11-22-16-4-2-1-3-13(16)9-17(22)19(23)24/h1-10H,11H2,(H,23,24).
What are the key properties of 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid?
1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid has a molecular weight of 352.78 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid is sourced from PubChem (CID 22394375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).