5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid

C15H17N3O4 — CID 119137421

IUPAC5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1noc(C)c1CC(C)NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H17N3O4/c1-8(6-12-9(2)18-22-10(12)3)17-14(19)11-4-5-13(15(20)21)16-7-11/h4-5,7-8H,6H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyZXJVILUXFQWRKY-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.75
Rot. Bonds5

About 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid

5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119137421) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119137421
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
SMILESCc1noc(C)c1CC(C)NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H17N3O4/c1-8(6-12-9(2)18-22-10(12)3)17-14(19)11-4-5-13(15(20)21)16-7-11/h4-5,7-8H,6H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyZXJVILUXFQWRKY-UHFFFAOYSA-N
XLogP1.75
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]furan-2-carboxylic acid
CID 120692172
5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 60725401
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride
CID 120635010
5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389573
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 111439093
N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 99697784
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide
CID 71860642
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide
CID 42988184
5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
CID 61030950

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid (CID 119137421) is 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid is Cc1noc(C)c1CC(C)NC(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is ZXJVILUXFQWRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-8(6-12-9(2)18-22-10(12)3)17-14(19)11-4-5-13(15(20)21)16-7-11/h4-5,7-8H,6H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid?
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119137421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).