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

C15H18ClN4O2+ — CID 6929067

IUPACN-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]piperazin-4-ium-1-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1NC(=O)N1CC[NH2+]CC1
InChIInChI=1S/C15H17ClN4O2/c1-10-13(18-15(21)20-8-6-17-7-9-20)14(19-22-10)11-4-2-3-5-12(11)16/h2-5,17H,6-9H2,1H3,(H,18,21)/p+1
InChIKeyOIQRZZVPMANNHP-UHFFFAOYSA-O
MW321.79 g/mol
LogP1.71
Rot. Bonds2

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

N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]piperazin-4-ium-1-carboxamide (PubChem CID 6929067) has the molecular formula C15H18ClN4O2+ and a molecular weight of 321.79 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]piperazin-4-ium-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]piperazin-4-ium-1-carboxamide
PubChem CID6929067
Molecular FormulaC15H18ClN4O2+
Molecular Weight321.79 g/mol
Exact Mass321.11
IUPAC NameN-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]piperazin-4-ium-1-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1NC(=O)N1CC[NH2+]CC1
InChIInChI=1S/C15H17ClN4O2/c1-10-13(18-15(21)20-8-6-17-7-9-20)14(19-22-10)11-4-2-3-5-12(11)16/h2-5,17H,6-9H2,1H3,(H,18,21)/p+1
InChIKeyOIQRZZVPMANNHP-UHFFFAOYSA-O
XLogP1.71
TPSA74.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122356760
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1050462
3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 656333
1-[4-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 1247458
3-(2-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 112796045
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251237
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 700024
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-ethylpiperidine-4-carboxamide
CID 78863680
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490813
3-(2-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1259716

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]piperazin-4-ium-1-carboxamide?
The IUPAC name of N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]piperazin-4-ium-1-carboxamide (CID 6929067) is N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]piperazin-4-ium-1-carboxamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]piperazin-4-ium-1-carboxamide?
The canonical SMILES for N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]piperazin-4-ium-1-carboxamide is Cc1onc(-c2ccccc2Cl)c1NC(=O)N1CC[NH2+]CC1.
What is the InChIKey of N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]piperazin-4-ium-1-carboxamide?
The InChIKey is OIQRZZVPMANNHP-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17ClN4O2/c1-10-13(18-15(21)20-8-6-17-7-9-20)14(19-22-10)11-4-2-3-5-12(11)16/h2-5,17H,6-9H2,1H3,(H,18,21)/p+1.
What are the key properties of N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]piperazin-4-ium-1-carboxamide?
N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]piperazin-4-ium-1-carboxamide has a molecular weight of 321.79 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]piperazin-4-ium-1-carboxamide is sourced from PubChem (CID 6929067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).