2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide

C19H25N3O3S — CID 51113101

IUPAC2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide
SMILESCc1cc(C2CCCN2C(=O)c2sc(NC(=O)C(C)(C)C)cc2C)no1
InChIInChI=1S/C19H25N3O3S/c1-11-9-15(20-18(24)19(3,4)5)26-16(11)17(23)22-8-6-7-14(22)13-10-12(2)25-21-13/h9-10,14H,6-8H2,1-5H3,(H,20,24)
InChIKeyPSBNCYDEMCWHKK-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.31
Rot. Bonds3

About 2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide

2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide (PubChem CID 51113101) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide
PubChem CID51113101
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide
SMILESCc1cc(C2CCCN2C(=O)c2sc(NC(=O)C(C)(C)C)cc2C)no1
InChIInChI=1S/C19H25N3O3S/c1-11-9-15(20-18(24)19(3,4)5)26-16(11)17(23)22-8-6-7-14(22)13-10-12(2)25-21-13/h9-10,14H,6-8H2,1-5H3,(H,20,24)
InChIKeyPSBNCYDEMCWHKK-UHFFFAOYSA-N
XLogP4.31
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 24613715
N-tert-butyl-4-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzamide
CID 52513124
(5-ethylthiophen-2-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002545
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
methyl 4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzoate
CID 38349038
N-[5-(4-acetyl-1,4-diazepane-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 94601655
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
(2R)-N-cyclohexyl-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070285
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 92731594
(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 56808405
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide (CID 51113101) is 2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide is Cc1cc(C2CCCN2C(=O)c2sc(NC(=O)C(C)(C)C)cc2C)no1.
What is the InChIKey of 2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide?
The InChIKey is PSBNCYDEMCWHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-11-9-15(20-18(24)19(3,4)5)26-16(11)17(23)22-8-6-7-14(22)13-10-12(2)25-21-13/h9-10,14H,6-8H2,1-5H3,(H,20,24).
What are the key properties of 2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide?
2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide has a molecular weight of 375.49 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide is sourced from PubChem (CID 51113101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).