(2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

C19H27N3O3 — CID 99774122

IUPAC(2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1cc([C@@H]2CCCN2C(=O)N[C@@H](c2ccc(C)o2)C(C)(C)C)no1
InChIInChI=1S/C19H27N3O3/c1-12-8-9-16(24-12)17(19(3,4)5)20-18(23)22-10-6-7-15(22)14-11-13(2)25-21-14/h8-9,11,15,17H,6-7,10H2,1-5H3,(H,20,23)/t15-,17-/m0/s1
InChIKeyUGVKFXFQQIKFEY-RDJZCZTQSA-N
MW345.44 g/mol
LogP4.52
Rot. Bonds3

About (2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

(2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 99774122) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID99774122
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1cc([C@@H]2CCCN2C(=O)N[C@@H](c2ccc(C)o2)C(C)(C)C)no1
InChIInChI=1S/C19H27N3O3/c1-12-8-9-16(24-12)17(19(3,4)5)20-18(23)22-10-6-7-15(22)14-11-13(2)25-21-14/h8-9,11,15,17H,6-7,10H2,1-5H3,(H,20,23)/t15-,17-/m0/s1
InChIKeyUGVKFXFQQIKFEY-RDJZCZTQSA-N
XLogP4.52
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide
CID 52513124
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
N-(2,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53009661
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 50946008
methyl 4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzoate
CID 38349038
(2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95193932
tert-butyl 4-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 42948503
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide
CID 118784987

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 99774122) is (2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](c2ccc(C)o2)C(C)(C)C)no1.
What is the InChIKey of (2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is UGVKFXFQQIKFEY-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12-8-9-16(24-12)17(19(3,4)5)20-18(23)22-10-6-7-15(22)14-11-13(2)25-21-14/h8-9,11,15,17H,6-7,10H2,1-5H3,(H,20,23)/t15-,17-/m0/s1.
What are the key properties of (2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
(2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99774122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).