5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid

C11H9N3O4 — CID 117369563

IUPAC5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESNC(=O)Nc1ccc(-c2cc(C(=O)O)no2)cc1
InChIInChI=1S/C11H9N3O4/c12-11(17)13-7-3-1-6(2-4-7)9-5-8(10(15)16)14-18-9/h1-5H,(H,15,16)(H3,12,13,17)
InChIKeyNMCCROAOLNQHJF-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.53
Rot. Bonds3

About 5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid

5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 117369563) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID117369563
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Name5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESNC(=O)Nc1ccc(-c2cc(C(=O)O)no2)cc1
InChIInChI=1S/C11H9N3O4/c12-11(17)13-7-3-1-6(2-4-7)9-5-8(10(15)16)14-18-9/h1-5H,(H,15,16)(H3,12,13,17)
InChIKeyNMCCROAOLNQHJF-UHFFFAOYSA-N
XLogP1.53
TPSA118.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid
CID 69377352
5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111153
5-[4-(diaminomethylideneamino)phenyl]-N-phenyl-1,2-oxazole-3-carboxamide
CID 86567647
5-[4-(triazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117393453
5-(3,4-dihydro-1H-isochromen-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117364332
5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 131955030
5-(3-hydroxy-4-iodophenyl)-1,2-oxazole-3-carboxylic acid
CID 155392679
5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111196
5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 139582124
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
N-[4-(furan-2-carbonylamino)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51327615

Frequently Asked Questions

What is the IUPAC name of 5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid (CID 117369563) is 5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid is NC(=O)Nc1ccc(-c2cc(C(=O)O)no2)cc1.
What is the InChIKey of 5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is NMCCROAOLNQHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c12-11(17)13-7-3-1-6(2-4-7)9-5-8(10(15)16)14-18-9/h1-5H,(H,15,16)(H3,12,13,17).
What are the key properties of 5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid?
5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 247.21 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117369563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).