N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide

C16H18ClN3O2 — CID 119342019

IUPACN-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCc1nc(CNC(=O)C2CCCN2)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O2/c1-10-15(11-4-6-12(17)7-5-11)22-14(20-10)9-19-16(21)13-3-2-8-18-13/h4-7,13,18H,2-3,8-9H2,1H3,(H,19,21)
InChIKeyJPAKTHDLSUIXQQ-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.67
Rot. Bonds4

About N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide

N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119342019) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID119342019
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCc1nc(CNC(=O)C2CCCN2)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O2/c1-10-15(11-4-6-12(17)7-5-11)22-14(20-10)9-19-16(21)13-3-2-8-18-13/h4-7,13,18H,2-3,8-9H2,1H3,(H,19,21)
InChIKeyJPAKTHDLSUIXQQ-UHFFFAOYSA-N
XLogP2.67
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-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

chloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 144982115
N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120841331
3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride
CID 119815783
N-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120841285
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120837950
N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide
CID 120838741
2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
CID 43144205
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidine-2-carboxamide
CID 106370890
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 176799707
N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296053
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide (CID 119342019) is N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide is Cc1nc(CNC(=O)C2CCCN2)oc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is JPAKTHDLSUIXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-10-15(11-4-6-12(17)7-5-11)22-14(20-10)9-19-16(21)13-3-2-8-18-13/h4-7,13,18H,2-3,8-9H2,1H3,(H,19,21).
What are the key properties of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide?
N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119342019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).