2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid

C19H15N3O4 — CID 175242426

IUPAC2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1c(-c2cccnc2)noc1NC(=O)C1CC1
InChIInChI=1S/C19H15N3O4/c23-17(11-7-8-11)21-18-15(13-5-1-2-6-14(13)19(24)25)16(22-26-18)12-4-3-9-20-10-12/h1-6,9-11H,7-8H2,(H,21,23)(H,24,25)
InChIKeyRRFCQQOJBDJVCP-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.45
Rot. Bonds5

About 2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid

2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid (PubChem CID 175242426) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid
PubChem CID175242426
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1c(-c2cccnc2)noc1NC(=O)C1CC1
InChIInChI=1S/C19H15N3O4/c23-17(11-7-8-11)21-18-15(13-5-1-2-6-14(13)19(24)25)16(22-26-18)12-4-3-9-20-10-12/h1-6,9-11H,7-8H2,(H,21,23)(H,24,25)
InChIKeyRRFCQQOJBDJVCP-UHFFFAOYSA-N
XLogP3.45
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.45
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
2-[5-(cyclopropanecarbonylamino)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzoic acid
CID 174473755
5-[(4-tert-butylbenzoyl)amino]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142774008
5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368292
N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 53321372
2-[5-[(2-methylbenzoyl)amino]-3-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]benzoic acid
CID 174473888
N-(4-methoxy-7-pyridin-3-yl-3H-indol-2-yl)cyclopropanecarboxamide
CID 158644717
2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid
CID 68921390
2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide
CID 142796572
bis(2-pyridin-3-ylphenyl)methanone
CID 70483268
2-chloro-3-pyridin-3-ylbenzoic acid
CID 46317024
5-(2-propylpentanoylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773932

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid?
The IUPAC name of 2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid (CID 175242426) is 2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid.
What is the SMILES notation for 2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid?
The canonical SMILES for 2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid is O=C(O)c1ccccc1-c1c(-c2cccnc2)noc1NC(=O)C1CC1.
What is the InChIKey of 2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid?
The InChIKey is RRFCQQOJBDJVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-17(11-7-8-11)21-18-15(13-5-1-2-6-14(13)19(24)25)16(22-26-18)12-4-3-9-20-10-12/h1-6,9-11H,7-8H2,(H,21,23)(H,24,25).
What are the key properties of 2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid?
2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid has a molecular weight of 349.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazol-4-yl]benzoic acid is sourced from PubChem (CID 175242426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).