3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid

C17H14N2O4 — CID 99644527

IUPAC3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid
SMILESCc1nc(C)c(C(=O)Nc2cc3ccccc3cc2C(=O)O)o1
InChIInChI=1S/C17H14N2O4/c1-9-15(23-10(2)18-9)16(20)19-14-8-12-6-4-3-5-11(12)7-13(14)17(21)22/h3-8H,1-2H3,(H,19,20)(H,21,22)
InChIKeyZRSRUAZTXOZFHO-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.40
Rot. Bonds3

About 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid

3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid (PubChem CID 99644527) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid
PubChem CID99644527
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid
SMILESCc1nc(C)c(C(=O)Nc2cc3ccccc3cc2C(=O)O)o1
InChIInChI=1S/C17H14N2O4/c1-9-15(23-10(2)18-9)16(20)19-14-8-12-6-4-3-5-11(12)7-13(14)17(21)22/h3-8H,1-2H3,(H,19,20)(H,21,22)
InChIKeyZRSRUAZTXOZFHO-UHFFFAOYSA-N
XLogP3.40
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid
CID 16773490
N-(2-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4140143
3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid
CID 75513355
2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
CID 81361370
2,4-dimethyl-N-(6-phenylpyridazin-3-yl)-1,3-oxazole-5-carboxamide
CID 71920781
N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 5307726
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
CID 110684897
3-(methylcarbamoylamino)naphthalene-2-carboxylic acid
CID 61189207
N-(2,6-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113442
2,4-dimethyl-N-(1-methylbenzimidazol-2-yl)-1,3-oxazole-5-carboxamide
CID 10333328
N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113434
N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113446

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid?
The IUPAC name of 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid (CID 99644527) is 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid?
The canonical SMILES for 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid is Cc1nc(C)c(C(=O)Nc2cc3ccccc3cc2C(=O)O)o1.
What is the InChIKey of 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid?
The InChIKey is ZRSRUAZTXOZFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-9-15(23-10(2)18-9)16(20)19-14-8-12-6-4-3-5-11(12)7-13(14)17(21)22/h3-8H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid?
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 99644527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).