N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

C17H16N4O3 — CID 37162940

IUPACN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccnc1N1CCCC1
InChIInChI=1S/C17H16N4O3/c22-16(12-4-3-7-18-15(12)21-8-1-2-9-21)19-11-5-6-14-13(10-11)20-17(23)24-14/h3-7,10H,1-2,8-9H2,(H,19,22)(H,20,23)
InChIKeyMFEKRWXOBFBOPZ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.37
Rot. Bonds3

About N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 37162940) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID37162940
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccnc1N1CCCC1
InChIInChI=1S/C17H16N4O3/c22-16(12-4-3-7-18-15(12)21-8-1-2-9-21)19-11-5-6-14-13(10-11)20-17(23)24-14/h3-7,10H,1-2,8-9H2,(H,19,22)(H,20,23)
InChIKeyMFEKRWXOBFBOPZ-UHFFFAOYSA-N
XLogP2.37
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 38468487
2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
N-[4-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26785735
2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019980
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-4-carboxamide
CID 112525958
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 56508446
3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
CID 38467954
N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84575248
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide
CID 112525968
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
CID 38466452
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60553120

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 37162940) is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccnc1N1CCCC1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is MFEKRWXOBFBOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-16(12-4-3-7-18-15(12)21-8-1-2-9-21)19-11-5-6-14-13(10-11)20-17(23)24-14/h3-7,10H,1-2,8-9H2,(H,19,22)(H,20,23).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 37162940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).