N-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C14H15ClN4O2 — CID 104970725

IUPACN-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C14H15ClN4O2/c1-8-9(15)4-2-5-10(8)17-13(20)12-18-14(21-19-12)11-6-3-7-16-11/h2,4-5,11,16H,3,6-7H2,1H3,(H,17,20)
InChIKeyVCKMCJQIKZFVFP-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.71
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970725) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970725
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC NameN-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C14H15ClN4O2/c1-8-9(15)4-2-5-10(8)17-13(20)12-18-14(21-19-12)11-6-3-7-16-11/h2,4-5,11,16H,3,6-7H2,1H3,(H,17,20)
InChIKeyVCKMCJQIKZFVFP-UHFFFAOYSA-N
XLogP2.71
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970724
N-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970772
N-(4-iodophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970742
N-(4-hydroxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971402
N-(2-methyl-4-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971294
N-(5-bromo-2-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970898
N-(3-methyloxolan-3-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971411
N-[(1S)-1-pyridin-4-ylethyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742442
N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742136
N-(1-propan-2-ylpyrazol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971105
N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970787
N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742553

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104970725) is N-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VCKMCJQIKZFVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-8-9(15)4-2-5-10(8)17-13(20)12-18-14(21-19-12)11-6-3-7-16-11/h2,4-5,11,16H,3,6-7H2,1H3,(H,17,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).