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

C20H15N3O3S — CID 170458739

IUPACN-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccs2)c(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H15N3O3S/c1-25-14-9-10-16(21-18(24)17-8-5-11-27-17)15(12-14)20-23-22-19(26-20)13-6-3-2-4-7-13/h2-12H,1H3,(H,21,24)
InChIKeyCQRGNGFMBNSWAE-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.73
Rot. Bonds5

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

N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 170458739) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID170458739
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC NameN-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccs2)c(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H15N3O3S/c1-25-14-9-10-16(21-18(24)17-8-5-11-27-17)15(12-14)20-23-22-19(26-20)13-6-3-2-4-7-13/h2-12H,1H3,(H,21,24)
InChIKeyCQRGNGFMBNSWAE-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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Related Compounds

4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 170458785
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 5050382
4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide
CID 170458873
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide
CID 110320093
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]pyridine-4-carboxamide
CID 170458823
N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515403
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
CID 5297582
4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2799994
N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2281805
N-(2,5-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515404
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 110725523

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide (CID 170458739) is N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide is COc1ccc(NC(=O)c2cccs2)c(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is CQRGNGFMBNSWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-25-14-9-10-16(21-18(24)17-8-5-11-27-17)15(12-14)20-23-22-19(26-20)13-6-3-2-4-7-13/h2-12H,1H3,(H,21,24).
What are the key properties of N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide?
N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-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-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 170458739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).