(2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

C14H16N4O2S — CID 146149715

IUPAC(2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCSc1ccc(NC(=O)N2CCC[C@H]2c2ccon2)nc1
InChIInChI=1S/C14H16N4O2S/c1-21-10-4-5-13(15-9-10)16-14(19)18-7-2-3-12(18)11-6-8-20-17-11/h4-6,8-9,12H,2-3,7H2,1H3,(H,15,16,19)/t12-/m0/s1
InChIKeyPWELHLMNYLYXKU-LBPRGKRZSA-N
MW304.38 g/mol
LogP3.16
Rot. Bonds3

About (2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

(2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 146149715) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is (2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID146149715
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name(2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCSc1ccc(NC(=O)N2CCC[C@H]2c2ccon2)nc1
InChIInChI=1S/C14H16N4O2S/c1-21-10-4-5-13(15-9-10)16-14(19)18-7-2-3-12(18)11-6-8-20-17-11/h4-6,8-9,12H,2-3,7H2,1H3,(H,15,16,19)/t12-/m0/s1
InChIKeyPWELHLMNYLYXKU-LBPRGKRZSA-N
XLogP3.16
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(1,2-oxazol-3-yl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 166296927
[(2R,3S)-3-methyloxiran-2-yl]-[(2R)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 166418365
N-(5-cyclopropyl-2-pyridinyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 136564263
(3S,4S)-1-[(5-methylsulfanyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122089461
1-[3-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166413055
N-(5-cyclopropyl-2-pyridinyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 136564260
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 5043019
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214
2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide
CID 128998901
N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874700
N-(2,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53009661
(2R)-N-phenyl-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070295

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 146149715) is (2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is CSc1ccc(NC(=O)N2CCC[C@H]2c2ccon2)nc1.
What is the InChIKey of (2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is PWELHLMNYLYXKU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-21-10-4-5-13(15-9-10)16-14(19)18-7-2-3-12(18)11-6-8-20-17-11/h4-6,8-9,12H,2-3,7H2,1H3,(H,15,16,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
(2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methylsulfanyl-2-pyridinyl)-2-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 146149715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).