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

C18H18ClN3O2S — CID 92580919

IUPACN-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@H](C)c2nc(-c3ccccc3Cl)no2)cs1
InChIInChI=1S/C18H18ClN3O2S/c1-10(2)15-8-12(9-25-15)17(23)20-11(3)18-21-16(22-24-18)13-6-4-5-7-14(13)19/h4-11H,1-3H3,(H,20,23)/t11-/m1/s1
InChIKeyZZYUBIPCHXAQMR-LLVKDONJSA-N
MW375.88 g/mol
LogP5.07
Rot. Bonds5

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

N-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 92580919) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide
PubChem CID92580919
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC NameN-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@H](C)c2nc(-c3ccccc3Cl)no2)cs1
InChIInChI=1S/C18H18ClN3O2S/c1-10(2)15-8-12(9-25-15)17(23)20-11(3)18-21-16(22-24-18)13-6-4-5-7-14(13)19/h4-11H,1-3H3,(H,20,23)/t11-/m1/s1
InChIKeyZZYUBIPCHXAQMR-LLVKDONJSA-N
XLogP5.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.88
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 17101552
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101554
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101557
2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 131905398
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63352599
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 665429
(1S,2R)-1-amino-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 94352485
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101563
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539787
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 63352336
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 100758002
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of N-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide (CID 92580919) is N-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide is CC(C)c1cc(C(=O)N[C@H](C)c2nc(-c3ccccc3Cl)no2)cs1.
What is the InChIKey of N-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is ZZYUBIPCHXAQMR-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-10(2)15-8-12(9-25-15)17(23)20-11(3)18-21-16(22-24-18)13-6-4-5-7-14(13)19/h4-11H,1-3H3,(H,20,23)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide?
N-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 92580919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).