5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide

C16H14N4O2 — CID 69190593

IUPAC5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cccc(Nc2nnc(C(=O)Nc3ccccc3)o2)c1
InChIInChI=1S/C16H14N4O2/c1-11-6-5-9-13(10-11)18-16-20-19-15(22-16)14(21)17-12-7-3-2-4-8-12/h2-10H,1H3,(H,17,21)(H,18,20)
InChIKeyKELFFIFBRKZDEN-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.37
Rot. Bonds4

About 5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide

5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 69190593) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID69190593
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cccc(Nc2nnc(C(=O)Nc3ccccc3)o2)c1
InChIInChI=1S/C16H14N4O2/c1-11-6-5-9-13(10-11)18-16-20-19-15(22-16)14(21)17-12-7-3-2-4-8-12/h2-10H,1H3,(H,17,21)(H,18,20)
InChIKeyKELFFIFBRKZDEN-UHFFFAOYSA-N
XLogP3.37
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-methylanilino)-1,3,4-oxadiazole-2-carboxamide
CID 11625416
5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 68684834
2-[4-[4-[[5-(3-methylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]cyclohexyl]cyclohexyl]acetic acid
CID 25095449
5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391121
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
methyl 5-anilino-1,3,4-oxadiazole-2-carboxylate
CID 15561719
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
[4-[4-[[5-[3-(benzenesulfonyl)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl] acetate
CID 69397895
N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(naphthalen-2-ylamino)-1,3,4-oxadiazole-2-carboxamide
CID 68684136
5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967977
3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45021441

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 69190593) is 5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide is Cc1cccc(Nc2nnc(C(=O)Nc3ccccc3)o2)c1.
What is the InChIKey of 5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is KELFFIFBRKZDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-6-5-9-13(10-11)18-16-20-19-15(22-16)14(21)17-12-7-3-2-4-8-12/h2-10H,1H3,(H,17,21)(H,18,20).
What are the key properties of 5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylanilino)-N-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 69190593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).