5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid

C20H19N3O4 — CID 142774008

IUPAC5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)Nc2onc(-c3cccnc3)c2C(=O)O)cc1
InChIInChI=1S/C20H19N3O4/c1-20(2,3)14-8-6-12(7-9-14)17(24)22-18-15(19(25)26)16(23-27-18)13-5-4-10-21-11-13/h4-11H,1-3H3,(H,22,24)(H,25,26)
InChIKeyYOXKJBOUDZCVNJ-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.98
Rot. Bonds4

About 5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid

5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 142774008) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
PubChem CID142774008
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)Nc2onc(-c3cccnc3)c2C(=O)O)cc1
InChIInChI=1S/C20H19N3O4/c1-20(2,3)14-8-6-12(7-9-14)17(24)22-18-15(19(25)26)16(23-27-18)13-5-4-10-21-11-13/h4-11H,1-3H3,(H,22,24)(H,25,26)
InChIKeyYOXKJBOUDZCVNJ-UHFFFAOYSA-N
XLogP3.98
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773853
5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773932
2-[(4-tert-butylbenzoyl)amino]-4-chloro-5-pyridin-3-ylbenzoic acid
CID 71307927
5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773953
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 166193213
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 146021058
N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53015749
5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773841
5-[1-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 118747504
5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368297

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid (CID 142774008) is 5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid is CC(C)(C)c1ccc(C(=O)Nc2onc(-c3cccnc3)c2C(=O)O)cc1.
What is the InChIKey of 5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is YOXKJBOUDZCVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-20(2,3)14-8-6-12(7-9-14)17(24)22-18-15(19(25)26)16(23-27-18)13-5-4-10-21-11-13/h4-11H,1-3H3,(H,22,24)(H,25,26).
What are the key properties of 5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 142774008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).