(2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

C19H23N5O2 — CID 126440693

IUPAC(2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1cc([C@H]2CCCN2C(=O)NCCc2nc3ccccc3n2C)no1
InChIInChI=1S/C19H23N5O2/c1-13-12-15(22-26-13)17-8-5-11-24(17)19(25)20-10-9-18-21-14-6-3-4-7-16(14)23(18)2/h3-4,6-7,12,17H,5,8-11H2,1-2H3,(H,20,25)/t17-/m1/s1
InChIKeyGDDUMJHMKMYTNU-QGZVFWFLSA-N
MW353.43 g/mol
LogP2.96
Rot. Bonds4

About (2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

(2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 126440693) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID126440693
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1cc([C@H]2CCCN2C(=O)NCCc2nc3ccccc3n2C)no1
InChIInChI=1S/C19H23N5O2/c1-13-12-15(22-26-13)17-8-5-11-24(17)19(25)20-10-9-18-21-14-6-3-4-7-16(14)23(18)2/h3-4,6-7,12,17H,5,8-11H2,1-2H3,(H,20,25)/t17-/m1/s1
InChIKeyGDDUMJHMKMYTNU-QGZVFWFLSA-N
XLogP2.96
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 119067980
(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 125446707
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 71710226
2-(1-methylindol-3-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 94813165
2-(1-methylindol-3-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 94813166
(2R)-N-cyclohexyl-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070285
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428120
1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126428709
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 126441910
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 126440693) is (2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is Cc1cc([C@H]2CCCN2C(=O)NCCc2nc3ccccc3n2C)no1.
What is the InChIKey of (2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is GDDUMJHMKMYTNU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-12-15(22-26-13)17-8-5-11-24(17)19(25)20-10-9-18-21-14-6-3-4-7-16(14)23(18)2/h3-4,6-7,12,17H,5,8-11H2,1-2H3,(H,20,25)/t17-/m1/s1.
What are the key properties of (2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
(2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126440693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).