1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-carboxamide

C21H27N5O3 — CID 127244514

IUPAC1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-carboxamide
SMILESCc1nc(C(=O)N2CCN(C)C(C(=O)Nc3cccc(N4CCCC4)c3)C2)co1
InChIInChI=1S/C21H27N5O3/c1-15-22-18(14-29-15)21(28)26-11-10-24(2)19(13-26)20(27)23-16-6-5-7-17(12-16)25-8-3-4-9-25/h5-7,12,14,19H,3-4,8-11,13H2,1-2H3,(H,23,27)
InChIKeyTYQOYQXYABPRIY-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.98
Rot. Bonds4

About 1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-carboxamide

1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-carboxamide (PubChem CID 127244514) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-carboxamide
PubChem CID127244514
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-carboxamide
SMILESCc1nc(C(=O)N2CCN(C)C(C(=O)Nc3cccc(N4CCCC4)c3)C2)co1
InChIInChI=1S/C21H27N5O3/c1-15-22-18(14-29-15)21(28)26-11-10-24(2)19(13-26)20(27)23-16-6-5-7-17(12-16)25-8-3-4-9-25/h5-7,12,14,19H,3-4,8-11,13H2,1-2H3,(H,23,27)
InChIKeyTYQOYQXYABPRIY-UHFFFAOYSA-N
XLogP1.98
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-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

N-[2-(3-fluorophenoxy)ethyl]-1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide
CID 110085731
[(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95828746
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
(2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide
CID 124976414
(2S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methyl-4-(3-pyrrolidin-1-ylbenzoyl)piperazine-2-carboxamide
CID 124995026
(3S)-1-(2-fluoro-6-methylbenzoyl)-N-(3-piperidin-1-ylphenyl)piperidine-3-carboxamide
CID 129074399
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402898
1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 55814773
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 124591808
(2S)-N-[3-(4-methylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 141209517
5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166277308

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-carboxamide?
The IUPAC name of 1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-carboxamide (CID 127244514) is 1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-carboxamide?
The canonical SMILES for 1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-carboxamide is Cc1nc(C(=O)N2CCN(C)C(C(=O)Nc3cccc(N4CCCC4)c3)C2)co1.
What is the InChIKey of 1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-carboxamide?
The InChIKey is TYQOYQXYABPRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-15-22-18(14-29-15)21(28)26-11-10-24(2)19(13-26)20(27)23-16-6-5-7-17(12-16)25-8-3-4-9-25/h5-7,12,14,19H,3-4,8-11,13H2,1-2H3,(H,23,27).
What are the key properties of 1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-carboxamide?
1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methyl-1,3-oxazole-4-carbonyl)-N-(3-pyrrolidin-1-ylphenyl)piperazine-2-carboxamide is sourced from PubChem (CID 127244514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).