1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid

C14H12N2O3 — CID 63749669

IUPAC1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid
SMILESCc1cc(Cn2ccc3ccc(C(=O)O)cc32)on1
InChIInChI=1S/C14H12N2O3/c1-9-6-12(19-15-9)8-16-5-4-10-2-3-11(14(17)18)7-13(10)16/h2-7H,8H2,1H3,(H,17,18)
InChIKeyFFZHCMUQJWRIFI-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.68
Rot. Bonds3

About 1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid

1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid (PubChem CID 63749669) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid
PubChem CID63749669
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid
SMILESCc1cc(Cn2ccc3ccc(C(=O)O)cc32)on1
InChIInChI=1S/C14H12N2O3/c1-9-6-12(19-15-9)8-16-5-4-10-2-3-11(14(17)18)7-13(10)16/h2-7H,8H2,1H3,(H,17,18)
InChIKeyFFZHCMUQJWRIFI-UHFFFAOYSA-N
XLogP2.68
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methyl-1,3-thiazol-5-yl)methyl]indole-6-carboxylic acid
CID 63749308
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indole-6-carboxylic acid
CID 102911797
5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole
CID 116619491
1-(carboxymethyl)indole-6-carboxylic acid
CID 83948256
1-[(1-methylpyrazol-4-yl)methyl]indole-6-carboxylic acid
CID 63747713
1-[2-(2-methylimidazol-1-yl)ethyl]indole-6-carboxylic acid
CID 63749665
1-(2-amino-2-oxoethyl)indole-6-carboxylic acid
CID 24720961
1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid
CID 63936802
methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate
CID 150206903
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711144
1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carboxylic acid
CID 103047013
1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid
CID 65317256

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid?
The IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid (CID 63749669) is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid is Cc1cc(Cn2ccc3ccc(C(=O)O)cc32)on1.
What is the InChIKey of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid?
The InChIKey is FFZHCMUQJWRIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9-6-12(19-15-9)8-16-5-4-10-2-3-11(14(17)18)7-13(10)16/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid?
1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid is sourced from PubChem (CID 63749669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).