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

C15H14N2O4 — CID 102711143

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
SMILESCc1noc(C)c1CN1C(=O)Cc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H14N2O4/c1-8-12(9(2)21-16-8)7-17-13-4-3-10(15(19)20)5-11(13)6-14(17)18/h3-5H,6-7H2,1-2H3,(H,19,20)
InChIKeyNHCXDTFYQQJKSM-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.08
Rot. Bonds3

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid (PubChem CID 102711143) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
PubChem CID102711143
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
SMILESCc1noc(C)c1CN1C(=O)Cc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H14N2O4/c1-8-12(9(2)21-16-8)7-17-13-4-3-10(15(19)20)5-11(13)6-14(17)18/h3-5H,6-7H2,1-2H3,(H,19,20)
InChIKeyNHCXDTFYQQJKSM-UHFFFAOYSA-N
XLogP2.08
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711144
4-[(5-acetyl-2-oxo-3H-indol-1-yl)methyl]benzoic acid
CID 84758253
1-(2-methylprop-2-enyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711163
1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711072
1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
CID 102710960
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
CID 102711009
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-iodobenzoic acid
CID 114103458
1-benzyl-2-oxo-3H-indole-5-carboxamide
CID 122479775
5-acetyl-1-[(4-aminophenyl)methyl]-3H-indol-2-one
CID 84758268
2-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]-3H-indole-5-carboxylic acid
CID 102711165
1-benzyl-2-oxo-N-propan-2-yl-3H-indole-5-carboxamide
CID 71840675
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46543036

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid (CID 102711143) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid is Cc1noc(C)c1CN1C(=O)Cc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid?
The InChIKey is NHCXDTFYQQJKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8-12(9(2)21-16-8)7-17-13-4-3-10(15(19)20)5-11(13)6-14(17)18/h3-5H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid is sourced from PubChem (CID 102711143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).