3-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid

C13H11N3O4 — CID 76909035

IUPAC3-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
SMILESCc1cc(NC(=O)c2cncc(C=CC(=O)O)c2)no1
InChIInChI=1S/C13H11N3O4/c1-8-4-11(16-20-8)15-13(19)10-5-9(6-14-7-10)2-3-12(17)18/h2-7H,1H3,(H,17,18)(H,15,16,19)
InChIKeyZXLVCVMNXUMRDX-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.73
Rot. Bonds4

About 3-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid

3-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid (PubChem CID 76909035) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
PubChem CID76909035
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name3-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid
SMILESCc1cc(NC(=O)c2cncc(C=CC(=O)O)c2)no1
InChIInChI=1S/C13H11N3O4/c1-8-4-11(16-20-8)15-13(19)10-5-9(6-14-7-10)2-3-12(17)18/h2-7H,1H3,(H,17,18)(H,15,16,19)
InChIKeyZXLVCVMNXUMRDX-UHFFFAOYSA-N
XLogP1.73
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-fluoro-4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76913960
(E)-3-[2-chloro-4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 81294234
N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223552
3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109105083
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
(E)-3-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 109375737
3-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 54974847
5-(3,5-dichloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109246348
3-[5-(5-methylhexan-2-ylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 77013118
5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109246079
5-(3,4-dimethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109243004
N-(5-methyl-1,2-oxazol-3-yl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103878

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of 3-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid (CID 76909035) is 3-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 3-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 3-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid is Cc1cc(NC(=O)c2cncc(C=CC(=O)O)c2)no1.
What is the InChIKey of 3-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid?
The InChIKey is ZXLVCVMNXUMRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-8-4-11(16-20-8)15-13(19)10-5-9(6-14-7-10)2-3-12(17)18/h2-7H,1H3,(H,17,18)(H,15,16,19).
What are the key properties of 3-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid?
3-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid has a molecular weight of 273.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 76909035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).