5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid

C17H21N3O4 — CID 142773932

IUPAC5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
SMILESCCCC(CCC)C(=O)Nc1onc(-c2cccnc2)c1C(=O)O
InChIInChI=1S/C17H21N3O4/c1-3-6-11(7-4-2)15(21)19-16-13(17(22)23)14(20-24-16)12-8-5-9-18-10-12/h5,8-11H,3-4,6-7H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyONEKXLCRENGEMQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.59
Rot. Bonds8

About 5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid

5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 142773932) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
PubChem CID142773932
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
SMILESCCCC(CCC)C(=O)Nc1onc(-c2cccnc2)c1C(=O)O
InChIInChI=1S/C17H21N3O4/c1-3-6-11(7-4-2)15(21)19-16-13(17(22)23)14(20-24-16)12-8-5-9-18-10-12/h5,8-11H,3-4,6-7H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyONEKXLCRENGEMQ-UHFFFAOYSA-N
XLogP3.59
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142774008
5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773853
5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368297
N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53015749
5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368213
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368294
ethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate
CID 162478623
5-(5-aminooctyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 91105288
5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 162798345
2-methyl-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-pyridin-3-ylbutan-1-one
CID 59170271
5-[1-[(4-methoxyphenyl)methylamino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 162807901
5-[(1R)-1-[(4-methoxyphenyl)methylamino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid;dihydrochloride
CID 146119629

Frequently Asked Questions

What is the IUPAC name of 5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid (CID 142773932) is 5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid is CCCC(CCC)C(=O)Nc1onc(-c2cccnc2)c1C(=O)O.
What is the InChIKey of 5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is ONEKXLCRENGEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-3-6-11(7-4-2)15(21)19-16-13(17(22)23)14(20-24-16)12-8-5-9-18-10-12/h5,8-11H,3-4,6-7H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 142773932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).