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

C15H20N4O2S — CID 164643421

IUPAC(2S)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCc1nocc1CN(C)C(=O)[C@@H]1CCCN1c1nccs1
InChIInChI=1S/C15H20N4O2S/c1-3-12-11(10-21-17-12)9-18(2)14(20)13-5-4-7-19(13)15-16-6-8-22-15/h6,8,10,13H,3-5,7,9H2,1-2H3/t13-/m0/s1
InChIKeyJMMNESMFYCRDAH-ZDUSSCGKSA-N
MW320.42 g/mol
LogP2.32
Rot. Bonds5

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

(2S)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 164643421) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is (2S)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID164643421
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name(2S)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCc1nocc1CN(C)C(=O)[C@@H]1CCCN1c1nccs1
InChIInChI=1S/C15H20N4O2S/c1-3-12-11(10-21-17-12)9-18(2)14(20)13-5-4-7-19(13)15-16-6-8-22-15/h6,8,10,13H,3-5,7,9H2,1-2H3/t13-/m0/s1
InChIKeyJMMNESMFYCRDAH-ZDUSSCGKSA-N
XLogP2.32
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 164643421) is (2S)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is CCc1nocc1CN(C)C(=O)[C@@H]1CCCN1c1nccs1.
What is the InChIKey of (2S)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is JMMNESMFYCRDAH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-12-11(10-21-17-12)9-18(2)14(20)13-5-4-7-19(13)15-16-6-8-22-15/h6,8,10,13H,3-5,7,9H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 164643421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).