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

C19H19N3O2 — CID 20901384

IUPACN-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide
SMILESO=C(NCc1noc2ccccc12)N1CCC(c2ccccc2)C1
InChIInChI=1S/C19H19N3O2/c23-19(20-12-17-16-8-4-5-9-18(16)24-21-17)22-11-10-15(13-22)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,20,23)
InChIKeyQCCQZZSIVPAYLE-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.53
Rot. Bonds3

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

N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide (PubChem CID 20901384) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide
PubChem CID20901384
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide
SMILESO=C(NCc1noc2ccccc12)N1CCC(c2ccccc2)C1
InChIInChI=1S/C19H19N3O2/c23-19(20-12-17-16-8-4-5-9-18(16)24-21-17)22-11-10-15(13-22)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,20,23)
InChIKeyQCCQZZSIVPAYLE-UHFFFAOYSA-N
XLogP3.53
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-1-carboxamide
CID 46274751
1-N-(1,2-benzoxazol-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 50757562
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
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
(3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 95342259
N-(1,2-benzoxazol-3-ylmethyl)-2,4-dimethyl-5-oxopiperazine-1-carboxamide
CID 138004745
(2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 107839602
2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 66166344
3-(1,2-benzoxazol-3-ylmethyl)-1-cyclohexyl-1-methylurea
CID 20901318
2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428722
2-(1,2-benzoxazol-3-yl)-1-(3-bromopiperidin-1-yl)ethanone
CID 80659996

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide (CID 20901384) is N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide is O=C(NCc1noc2ccccc12)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide?
The InChIKey is QCCQZZSIVPAYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(20-12-17-16-8-4-5-9-18(16)24-21-17)22-11-10-15(13-22)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,20,23).
What are the key properties of N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide?
N-(1,2-benzoxazol-3-ylmethyl)-3-phenylpyrrolidine-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.53, 3 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)-3-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 20901384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).