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

C14H11N3O3S — CID 5050382

IUPACN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)c3cccs3)o2)c1
InChIInChI=1S/C14H11N3O3S/c1-19-10-5-2-4-9(8-10)13-16-17-14(20-13)15-12(18)11-6-3-7-21-11/h2-8H,1H3,(H,15,17,18)
InChIKeyRPKZPOOMXPELOM-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.06
Rot. Bonds4

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

N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 5050382) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
PubChem CID5050382
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC NameN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)c3cccs3)o2)c1
InChIInChI=1S/C14H11N3O3S/c1-19-10-5-2-4-9(8-10)13-16-17-14(20-13)15-12(18)11-6-3-7-21-11/h2-8H,1H3,(H,15,17,18)
InChIKeyRPKZPOOMXPELOM-UHFFFAOYSA-N
XLogP3.06
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 43971757
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 43976618
2,5-dimethoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16848805
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 6852040
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 17092611
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylbenzamide
CID 4064257
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16802504
N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 170458739
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide
CID 43981074
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959640
3-butoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4525703
N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 41226876

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (CID 5050382) is N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is COc1cccc(-c2nnc(NC(=O)c3cccs3)o2)c1.
What is the InChIKey of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is RPKZPOOMXPELOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-19-10-5-2-4-9(8-10)13-16-17-14(20-13)15-12(18)11-6-3-7-21-11/h2-8H,1H3,(H,15,17,18).
What are the key properties of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 5050382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).