(5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone

C15H10ClN3O2 — CID 164669073

IUPAC(5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)c1nnc(Nc2ccccc2)o1
InChIInChI=1S/C15H10ClN3O2/c16-11-6-4-5-10(9-11)13(20)14-18-19-15(21-14)17-12-7-2-1-3-8-12/h1-9H,(H,17,19)
InChIKeyYLOVMRLKEAMLDY-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.70
Rot. Bonds4

About (5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone

(5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone (PubChem CID 164669073) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is (5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone
PubChem CID164669073
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name(5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)c1nnc(Nc2ccccc2)o1
InChIInChI=1S/C15H10ClN3O2/c16-11-6-4-5-10(9-11)13(20)14-18-19-15(21-14)17-12-7-2-1-3-8-12/h1-9H,(H,17,19)
InChIKeyYLOVMRLKEAMLDY-UHFFFAOYSA-N
XLogP3.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-anilino-1,3,4-oxadiazole-2-carboxylate
CID 15561719
5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 69190593
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
5-(3-chlorobenzoyl)furan-2-carboxylic acid
CID 21387643
benzoic acid;3-chlorobenzoic acid
CID 162034638
1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea
CID 4738250
3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 114003802
[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 50761385
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
5-[(3,4-dichlorophenyl)methyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 101347553
2-(3-chloroanilino)-1,3-diphenylpropane-1,3-dione
CID 123487664

Frequently Asked Questions

What is the IUPAC name of (5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone (CID 164669073) is (5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)c1nnc(Nc2ccccc2)o1.
What is the InChIKey of (5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone?
The InChIKey is YLOVMRLKEAMLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-6-4-5-10(9-11)13(20)14-18-19-15(21-14)17-12-7-2-1-3-8-12/h1-9H,(H,17,19).
What are the key properties of (5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone?
(5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone has a molecular weight of 299.72 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilino-1,3,4-oxadiazol-2-yl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 164669073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).