5-chloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide

C17H14ClN3O2S — CID 72717377

IUPAC5-chloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(C2CC2)no1)c1ccc(Cl)s1
InChIInChI=1S/C17H14ClN3O2S/c18-14-8-7-13(24-14)17(22)19-12-4-2-1-3-11(12)9-15-20-16(21-23-15)10-5-6-10/h1-4,7-8,10H,5-6,9H2,(H,19,22)
InChIKeyKCRCBIAEFDCTLJ-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.51
Rot. Bonds5

About 5-chloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide

5-chloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide (PubChem CID 72717377) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 5-chloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide
PubChem CID72717377
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name5-chloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Cc1nc(C2CC2)no1)c1ccc(Cl)s1
InChIInChI=1S/C17H14ClN3O2S/c18-14-8-7-13(24-14)17(22)19-12-4-2-1-3-11(12)9-15-20-16(21-23-15)10-5-6-10/h1-4,7-8,10H,5-6,9H2,(H,19,22)
InChIKeyKCRCBIAEFDCTLJ-UHFFFAOYSA-N
XLogP4.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide (CID 72717377) is 5-chloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1Cc1nc(C2CC2)no1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is KCRCBIAEFDCTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c18-14-8-7-13(24-14)17(22)19-12-4-2-1-3-11(12)9-15-20-16(21-23-15)10-5-6-10/h1-4,7-8,10H,5-6,9H2,(H,19,22).
What are the key properties of 5-chloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide?
5-chloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 72717377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).