N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

C16H18ClN3O2 — CID 3785757

IUPACN-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1coc(C2CCNCC2)n1
InChIInChI=1S/C16H18ClN3O2/c17-13-4-2-1-3-12(13)9-19-15(21)14-10-22-16(20-14)11-5-7-18-8-6-11/h1-4,10-11,18H,5-9H2,(H,19,21)
InChIKeyDQXCHIJGPDFSDP-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.72
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 3785757) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID3785757
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1coc(C2CCNCC2)n1
InChIInChI=1S/C16H18ClN3O2/c17-13-4-2-1-3-12(13)9-19-15(21)14-10-22-16(20-14)11-5-7-18-8-6-11/h1-4,10-11,18H,5-9H2,(H,19,21)
InChIKeyDQXCHIJGPDFSDP-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-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

2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3421131
N-[(2,5-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3421206
N-cyclopropyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3864461
N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440443
N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3851641
2-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazole-4-carboxamide
CID 5176278
N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 5176443
N-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3857041
N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3791349
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3502630
N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide
CID 108897742
N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3770409

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (CID 3785757) is N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is O=C(NCc1ccccc1Cl)c1coc(C2CCNCC2)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is DQXCHIJGPDFSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-13-4-2-1-3-12(13)9-19-15(21)14-10-22-16(20-14)11-5-7-18-8-6-11/h1-4,10-11,18H,5-9H2,(H,19,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3785757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).