5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C14H16N2O5 — CID 107427105

IUPAC5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCCOc1ccc(NC(=O)C2CC(C(=O)O)=NO2)cc1
InChIInChI=1S/C14H16N2O5/c1-2-7-20-10-5-3-9(4-6-10)15-13(17)12-8-11(14(18)19)16-21-12/h3-6,12H,2,7-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyVRASCEFUNSWDNS-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.64
Rot. Bonds6

About 5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427105) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427105
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCCOc1ccc(NC(=O)C2CC(C(=O)O)=NO2)cc1
InChIInChI=1S/C14H16N2O5/c1-2-7-20-10-5-3-9(4-6-10)15-13(17)12-8-11(14(18)19)16-21-12/h3-6,12H,2,7-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyVRASCEFUNSWDNS-UHFFFAOYSA-N
XLogP1.64
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5S)-5-[(4-propoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945175
(5R)-N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29089716
5-[(3-methylsulfanylphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426571
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107642750
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
2-(4-propoxyanilino)acetic acid
CID 15310375
(2R,5S)-5-[(4-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944299
5-[(4-cyano-2-methoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427504
4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid
CID 62329039
3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 63045073
6-methyl-N-(4-propoxyphenyl)piperidine-2-carboxamide
CID 54855992

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427105) is 5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CCCOc1ccc(NC(=O)C2CC(C(=O)O)=NO2)cc1.
What is the InChIKey of 5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is VRASCEFUNSWDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-2-7-20-10-5-3-9(4-6-10)15-13(17)12-8-11(14(18)19)16-21-12/h3-6,12H,2,7-8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propoxyphenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).