N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide

C14H16ClN3O2 — CID 172895694

IUPACN-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide
SMILESCc1nc2cc(Cl)c(NC(=O)C3(C)CCCN3)cc2o1
InChIInChI=1S/C14H16ClN3O2/c1-8-17-11-6-9(15)10(7-12(11)20-8)18-13(19)14(2)4-3-5-16-14/h6-7,16H,3-5H2,1-2H3,(H,18,19)
InChIKeyCUBSAMZJYQMTID-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.87
Rot. Bonds2

About N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide

N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide (PubChem CID 172895694) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide
PubChem CID172895694
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide
SMILESCc1nc2cc(Cl)c(NC(=O)C3(C)CCCN3)cc2o1
InChIInChI=1S/C14H16ClN3O2/c1-8-17-11-6-9(15)10(7-12(11)20-8)18-13(19)14(2)4-3-5-16-14/h6-7,16H,3-5H2,1-2H3,(H,18,19)
InChIKeyCUBSAMZJYQMTID-UHFFFAOYSA-N
XLogP2.87
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-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-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 107528549
N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368554
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104597189
N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide
CID 113430886
2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide
CID 83072450
2-methyl-N-(4-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 113368673
(2R)-N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-1-prop-2-enoylazetidine-2-carboxamide
CID 172889438
N-(2,3-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368535
2-methyl-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 104596031
4-bromo-2-[(2-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 104596607
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrrolidine-2-carboxamide
CID 65488157
N-(4-fluoro-2-methoxyphenyl)-2-methylpiperidine-2-carboxamide
CID 104596685

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide (CID 172895694) is N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide is Cc1nc2cc(Cl)c(NC(=O)C3(C)CCCN3)cc2o1.
What is the InChIKey of N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide?
The InChIKey is CUBSAMZJYQMTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-8-17-11-6-9(15)10(7-12(11)20-8)18-13(19)14(2)4-3-5-16-14/h6-7,16H,3-5H2,1-2H3,(H,18,19).
What are the key properties of N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide?
N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 172895694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).