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

C20H15N3O3S — CID 1291767

IUPACN-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
SMILESCOc1cccc(-c2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)c1
InChIInChI=1S/C20H15N3O3S/c1-25-16-5-2-4-14(12-16)20-22-18(23-26-20)13-7-9-15(10-8-13)21-19(24)17-6-3-11-27-17/h2-12H,1H3,(H,21,24)
InChIKeyCSWUDDOSBDPWRV-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.73
Rot. Bonds5

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

N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide (PubChem CID 1291767) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
PubChem CID1291767
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC NameN-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
SMILESCOc1cccc(-c2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)c1
InChIInChI=1S/C20H15N3O3S/c1-25-16-5-2-4-14(12-16)20-22-18(23-26-20)13-7-9-15(10-8-13)21-19(24)17-6-3-11-27-17/h2-12H,1H3,(H,21,24)
InChIKeyCSWUDDOSBDPWRV-UHFFFAOYSA-N
XLogP4.73
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide (CID 1291767) is N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide is COc1cccc(-c2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)c1.
What is the InChIKey of N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is CSWUDDOSBDPWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-25-16-5-2-4-14(12-16)20-22-18(23-26-20)13-7-9-15(10-8-13)21-19(24)17-6-3-11-27-17/h2-12H,1H3,(H,21,24).
What are the key properties of N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide?
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1291767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).