N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine

C13H10ClN3OS — CID 75521986

IUPACN-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(CNc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C13H10ClN3OS/c14-10-5-3-9(4-6-10)8-15-13-17-16-12(18-13)11-2-1-7-19-11/h1-7H,8H2,(H,15,17)
InChIKeyASOOJSMDDTXFEL-UHFFFAOYSA-N
MW291.76 g/mol
LogP4.06
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine

N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 75521986) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID75521986
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC NameN-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(CNc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C13H10ClN3OS/c14-10-5-3-9(4-6-10)8-15-13-17-16-12(18-13)11-2-1-7-19-11/h1-7H,8H2,(H,15,17)
InChIKeyASOOJSMDDTXFEL-UHFFFAOYSA-N
XLogP4.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophenecarboxamide
CID 4457468
3-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 2104509
2,5-dichloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide
CID 4404202
3-fluoro-N-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 5080802
N-(5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl)
CID 2057792
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 5109405
5-chloro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 7295024
2-(2-chloro-6-fluorophenyl)-N-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)acetamide
CID 49669783
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 4085013
N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4451500
5-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 4626473
3-methylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7266923

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (CID 75521986) is N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is Clc1ccc(CNc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is ASOOJSMDDTXFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c14-10-5-3-9(4-6-10)8-15-13-17-16-12(18-13)11-2-1-7-19-11/h1-7H,8H2,(H,15,17).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 291.76 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75521986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).