2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide

C20H25N3O2 — CID 53195349

IUPAC2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCC2)nc1C(=O)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H25N3O2/c1-14-18(22-20(25-14)16-5-4-6-16)19(24)21-13-15-7-9-17(10-8-15)23-11-2-3-12-23/h7-10,16H,2-6,11-13H2,1H3,(H,21,24)
InChIKeyQFKYJPRYOATUTA-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.78
Rot. Bonds5

About 2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide

2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 53195349) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID53195349
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCC2)nc1C(=O)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H25N3O2/c1-14-18(22-20(25-14)16-5-4-6-16)19(24)21-13-15-7-9-17(10-8-15)23-11-2-3-12-23/h7-10,16H,2-6,11-13H2,1H3,(H,21,24)
InChIKeyQFKYJPRYOATUTA-UHFFFAOYSA-N
XLogP3.78
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-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

4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985
3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
CID 154837608
(3R)-1-[4-[[(5-methylfuran-2-carbonyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 94632476
3-[4-(azepan-1-yl)phenyl]-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827856
2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 126814286
1-methylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 50946769
1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 35614544
4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55851395
N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110405067
3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
CID 51078992
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315
4-[(R)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616767

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide (CID 53195349) is 2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide is Cc1oc(C2CCC2)nc1C(=O)NCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is QFKYJPRYOATUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-18(22-20(25-14)16-5-4-6-16)19(24)21-13-15-7-9-17(10-8-15)23-11-2-3-12-23/h7-10,16H,2-6,11-13H2,1H3,(H,21,24).
What are the key properties of 2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide?
2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).