N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide

C13H15N3O2 — CID 46274751

IUPACN-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1noc2ccccc12)N1CCCC1
InChIInChI=1S/C13H15N3O2/c17-13(16-7-3-4-8-16)14-9-11-10-5-1-2-6-12(10)18-15-11/h1-2,5-6H,3-4,7-9H2,(H,14,17)
InChIKeyDPNZYFGLTXERLR-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.13
Rot. Bonds2

About N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide

N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 46274751) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID46274751
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1noc2ccccc12)N1CCCC1
InChIInChI=1S/C13H15N3O2/c17-13(16-7-3-4-8-16)14-9-11-10-5-1-2-6-12(10)18-15-11/h1-2,5-6H,3-4,7-9H2,(H,14,17)
InChIKeyDPNZYFGLTXERLR-UHFFFAOYSA-N
XLogP2.13
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 50757562
N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide
CID 20901384
N-(1,2-benzoxazol-3-ylmethyl)-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
CID 138004733
N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 87748960
4-N-(1,2-benzoxazol-3-yl)-1-N-benzylpiperazine-1,4-dicarboxamide
CID 68777853
N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide
CID 138004745
2-(1,2-benzoxazol-3-yl)-1-(1,4-thiazepan-4-yl)ethanone
CID 56813264
2-(1,2-benzoxazol-3-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 46612809
N-benzylazonane-1-carboxamide
CID 130689649
N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide
CID 71890231
2-(1,2-benzoxazol-3-yl)-1-(3-bromopiperidin-1-yl)ethanone
CID 80659996
3-(1,2-benzoxazol-3-ylmethyl)-1-methyl-1-(2-methylphenyl)urea
CID 20901345

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide (CID 46274751) is N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide is O=C(NCc1noc2ccccc12)N1CCCC1.
What is the InChIKey of N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is DPNZYFGLTXERLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(16-7-3-4-8-16)14-9-11-10-5-1-2-6-12(10)18-15-11/h1-2,5-6H,3-4,7-9H2,(H,14,17).
What are the key properties of N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide?
N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 46274751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).