N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide

C16H16ClN5O2 — CID 126815135

IUPACN-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)c(C)o1
InChIInChI=1S/C16H16ClN5O2/c1-9-14(19-10(2)24-9)16(23)18-8-7-13-20-15(22-21-13)11-3-5-12(17)6-4-11/h3-6H,7-8H2,1-2H3,(H,18,23)(H,20,21,22)
InChIKeyLTXULJXSGFLODH-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.70
Rot. Bonds5

About N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide

N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 126815135) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
PubChem CID126815135
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC NameN-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)c(C)o1
InChIInChI=1S/C16H16ClN5O2/c1-9-14(19-10(2)24-9)16(23)18-8-7-13-20-15(22-21-13)11-3-5-12(17)6-4-11/h3-6H,7-8H2,1-2H3,(H,18,23)(H,20,21,22)
InChIKeyLTXULJXSGFLODH-UHFFFAOYSA-N
XLogP2.70
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-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

N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 146124708
1-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-3-ethylurea
CID 127266866
4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 53008569
N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-(cyclopropylmethylamino)pyridine-3-carboxamide
CID 154740580
3-(4-chlorophenyl)-5-propyl-1H-1,2,4-triazole
CID 61338485
N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide
CID 50801460
3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide
CID 53090148
5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 75508286
N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 154873013
1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 146126673
4-chloro-N-[4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylamino]-4-oxobutyl]benzamide
CID 56524620
2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 122175421

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide (CID 126815135) is N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)c(C)o1.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is LTXULJXSGFLODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-9-14(19-10(2)24-9)16(23)18-8-7-13-20-15(22-21-13)11-3-5-12(17)6-4-11/h3-6H,7-8H2,1-2H3,(H,18,23)(H,20,21,22).
What are the key properties of N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide?
N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126815135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).