3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

C15H13NO4 — CID 43380341

IUPAC3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc2ccccc2c1C1=NOC(C(=O)O)C1
InChIInChI=1S/C15H13NO4/c1-19-12-7-6-9-4-2-3-5-10(9)14(12)11-8-13(15(17)18)20-16-11/h2-7,13H,8H2,1H3,(H,17,18)
InChIKeyMDCXERYOLQUKMD-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.43
Rot. Bonds3

About 3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 43380341) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID43380341
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc2ccccc2c1C1=NOC(C(=O)O)C1
InChIInChI=1S/C15H13NO4/c1-19-12-7-6-9-4-2-3-5-10(9)14(12)11-8-13(15(17)18)20-16-11/h2-7,13H,8H2,1H3,(H,17,18)
InChIKeyMDCXERYOLQUKMD-UHFFFAOYSA-N
XLogP2.43
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 29078762
phenyl 3-anthracen-9-yl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 71424995
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
3-(3,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 43150140
(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966211
(5S)-N,N-dibenzyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095200
(5S)-N-benzyl-N-methyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503951
(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638470
N-(2-methoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51121534
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92734591
2-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980416

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 43380341) is 3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is COc1ccc2ccccc2c1C1=NOC(C(=O)O)C1.
What is the InChIKey of 3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is MDCXERYOLQUKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-12-7-6-9-4-2-3-5-10(9)14(12)11-8-13(15(17)18)20-16-11/h2-7,13H,8H2,1H3,(H,17,18).
What are the key properties of 3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxynaphthalen-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 43380341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).