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

C14H10ClN3O3S — CID 3314184

IUPAC5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)c1
InChIInChI=1S/C14H10ClN3O3S/c1-20-9-4-2-3-8(7-9)13-17-18-14(21-13)16-12(19)10-5-6-11(15)22-10/h2-7H,1H3,(H,16,18,19)
InChIKeyREGPSZUCRKHKSZ-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.71
Rot. Bonds4

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

5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 3314184) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is 5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
PubChem CID3314184
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC Name5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)c1
InChIInChI=1S/C14H10ClN3O3S/c1-20-9-4-2-3-8(7-9)13-17-18-14(21-13)16-12(19)10-5-6-11(15)22-10/h2-7H,1H3,(H,16,18,19)
InChIKeyREGPSZUCRKHKSZ-UHFFFAOYSA-N
XLogP3.71
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophenecarboxamide
CID 4457468
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 2201266
3-ethoxy-N-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 878458
3-Methoxy-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 1451529
3-phenoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 2104499
3-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3532590
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 3623511
2,5-dichloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide
CID 4404202
5-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 7295024
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 4085013
4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4133481
5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 4626473

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (CID 3314184) is 5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is COc1cccc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)c1.
What is the InChIKey of 5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is REGPSZUCRKHKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c1-20-9-4-2-3-8(7-9)13-17-18-14(21-13)16-12(19)10-5-6-11(15)22-10/h2-7H,1H3,(H,16,18,19).
What are the key properties of 5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?
5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 335.77 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 3314184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).