(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide

C19H21N5O2S — CID 125446707

IUPAC(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCc1cc([C@@H]2CCCN2C(=O)NCCc2csc(-c3ccncc3)n2)no1
InChIInChI=1S/C19H21N5O2S/c1-13-11-16(23-26-13)17-3-2-10-24(17)19(25)21-9-6-15-12-27-18(22-15)14-4-7-20-8-5-14/h4-5,7-8,11-12,17H,2-3,6,9-10H2,1H3,(H,21,25)/t17-/m0/s1
InChIKeyVWNHIFGMSYGHOW-KRWDZBQOSA-N
MW383.48 g/mol
LogP3.59
Rot. Bonds5

About (2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide

(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 125446707) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is (2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID125446707
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCc1cc([C@@H]2CCCN2C(=O)NCCc2csc(-c3ccncc3)n2)no1
InChIInChI=1S/C19H21N5O2S/c1-13-11-16(23-26-13)17-3-2-10-24(17)19(25)21-9-6-15-12-27-18(22-15)14-4-7-20-8-5-14/h4-5,7-8,11-12,17H,2-3,6,9-10H2,1H3,(H,21,25)/t17-/m0/s1
InChIKeyVWNHIFGMSYGHOW-KRWDZBQOSA-N
XLogP3.59
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47071734
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 119067980
(2R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 126440693
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 92553808
(2R)-N-cyclohexyl-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070285
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 50946008
2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide
CID 118779738
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
CID 110317363
(5-ethylthiophen-2-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002545
(2S)-N-(3,4-dimethylphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079639

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (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) is (2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide is Cc1cc([C@@H]2CCCN2C(=O)NCCc2csc(-c3ccncc3)n2)no1.
What is the InChIKey of (2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is VWNHIFGMSYGHOW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-13-11-16(23-26-13)17-3-2-10-24(17)19(25)21-9-6-15-12-27-18(22-15)14-4-7-20-8-5-14/h4-5,7-8,11-12,17H,2-3,6,9-10H2,1H3,(H,21,25)/t17-/m0/s1.
What are the key properties of (2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide?
(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 125446707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).