N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide

C18H18ClN3O2S — CID 83280374

IUPACN-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)c1cccs1
InChIInChI=1S/C18H18ClN3O2S/c1-12(2)22(18(23)15-7-4-10-25-15)9-8-16-20-17(21-24-16)13-5-3-6-14(19)11-13/h3-7,10-12H,8-9H2,1-2H3
InChIKeyFSQBUWAKGXAQHT-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.54
Rot. Bonds6

About N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide

N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 83280374) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide
PubChem CID83280374
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC NameN-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)c1cccs1
InChIInChI=1S/C18H18ClN3O2S/c1-12(2)22(18(23)15-7-4-10-25-15)9-8-16-20-17(21-24-16)13-5-3-6-14(19)11-13/h3-7,10-12H,8-9H2,1-2H3
InChIKeyFSQBUWAKGXAQHT-UHFFFAOYSA-N
XLogP4.54
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 2231249
(2R)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 119326200
2-chloro-N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylbenzamide
CID 83280330
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 119787997
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-pentan-2-yl]propanamide
CID 100757399
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 110330804
3-(3-chlorophenyl)-N-[2-(thiophene-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083702
(2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride
CID 119788016
2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 119326202
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-methylpropyl)-3-nitrobenzamide
CID 83280213
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 54924452

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide (CID 83280374) is N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is FSQBUWAKGXAQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-12(2)22(18(23)15-7-4-10-25-15)9-8-16-20-17(21-24-16)13-5-3-6-14(19)11-13/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide?
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 83280374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).