N-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide

C19H19ClN4O2 — CID 60603137

IUPACN-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
SMILESCCc1ccc(-c2noc(CNc3cc(Cl)ccc3NC(C)=O)n2)cc1
InChIInChI=1S/C19H19ClN4O2/c1-3-13-4-6-14(7-5-13)19-23-18(26-24-19)11-21-17-10-15(20)8-9-16(17)22-12(2)25/h4-10,21H,3,11H2,1-2H3,(H,22,25)
InChIKeyPMXCAKWKQUEMOD-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.52
Rot. Bonds6

About N-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide

N-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide (PubChem CID 60603137) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
PubChem CID60603137
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC NameN-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
SMILESCCc1ccc(-c2noc(CNc3cc(Cl)ccc3NC(C)=O)n2)cc1
InChIInChI=1S/C19H19ClN4O2/c1-3-13-4-6-14(7-5-13)19-23-18(26-24-19)11-21-17-10-15(20)8-9-16(17)22-12(2)25/h4-10,21H,3,11H2,1-2H3,(H,22,25)
InChIKeyPMXCAKWKQUEMOD-UHFFFAOYSA-N
XLogP4.52
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-fluoro-5-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
CID 55544423
N-[4-bromo-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
CID 86879092
[4-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylphenyl]-pyrrolidin-1-ylmethanone
CID 52810003
N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide
CID 47093633
N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
CID 9039208
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-chloro-2-fluorobenzoate
CID 8624911
ethyl 4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylcarbamothioylamino]-3-methylbenzoate
CID 100759940
N-[2-methyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
CID 34068502
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide
CID 8772536
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylaniline
CID 112796904
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120833829

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide?
The IUPAC name of N-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide (CID 60603137) is N-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide is CCc1ccc(-c2noc(CNc3cc(Cl)ccc3NC(C)=O)n2)cc1.
What is the InChIKey of N-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide?
The InChIKey is PMXCAKWKQUEMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-3-13-4-6-14(7-5-13)19-23-18(26-24-19)11-21-17-10-15(20)8-9-16(17)22-12(2)25/h4-10,21H,3,11H2,1-2H3,(H,22,25).
What are the key properties of N-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide?
N-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide has a molecular weight of 370.84 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide is sourced from PubChem (CID 60603137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).