(2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

C16H21N3O2S — CID 94119106

IUPAC(2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCc1ccc(CNC(=O)N2CCC[C@H]2c2cc(C)no2)s1
InChIInChI=1S/C16H21N3O2S/c1-3-12-6-7-13(22-12)10-17-16(20)19-8-4-5-14(19)15-9-11(2)18-21-15/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyAFVJPNBYSFTLFU-AWEZNQCLSA-N
MW319.43 g/mol
LogP3.65
Rot. Bonds4

About (2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

(2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 94119106) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is (2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID94119106
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name(2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCc1ccc(CNC(=O)N2CCC[C@H]2c2cc(C)no2)s1
InChIInChI=1S/C16H21N3O2S/c1-3-12-6-7-13(22-12)10-17-16(20)19-8-4-5-14(19)15-9-11(2)18-21-15/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyAFVJPNBYSFTLFU-AWEZNQCLSA-N
XLogP3.65
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94171868
(2S)-N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
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2-(3-ethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
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(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide
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N-(1-ethylpyrazol-4-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 75461427
2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963154
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 94031787
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 122564752
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 94119106) is (2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is CCc1ccc(CNC(=O)N2CCC[C@H]2c2cc(C)no2)s1.
What is the InChIKey of (2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is AFVJPNBYSFTLFU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-12-6-7-13(22-12)10-17-16(20)19-8-4-5-14(19)15-9-11(2)18-21-15/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
(2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 94119106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).