4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide

C16H14N4O2 — CID 78793084

IUPAC4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
SMILESNC(=O)c1ccc(NCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C16H14N4O2/c17-15(21)11-6-8-13(9-7-11)18-10-14-19-20-16(22-14)12-4-2-1-3-5-12/h1-9,18H,10H2,(H2,17,21)
InChIKeyWZYATFVBNXBJCX-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.45
Rot. Bonds5

About 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide

4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide (PubChem CID 78793084) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
PubChem CID78793084
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
SMILESNC(=O)c1ccc(NCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C16H14N4O2/c17-15(21)11-6-8-13(9-7-11)18-10-14-19-20-16(22-14)12-4-2-1-3-5-12/h1-9,18H,10H2,(H2,17,21)
InChIKeyWZYATFVBNXBJCX-UHFFFAOYSA-N
XLogP2.45
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793077
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine
CID 5122987
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 78795471
methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate
CID 71918805
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide
CID 106276224
methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate
CID 110653773
ethyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 78793128
4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 14567182
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870590
propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 78822750
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 110410091

Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide?
The IUPAC name of 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide (CID 78793084) is 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide.
What is the SMILES notation for 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide?
The canonical SMILES for 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide is NC(=O)c1ccc(NCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide?
The InChIKey is WZYATFVBNXBJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-15(21)11-6-8-13(9-7-11)18-10-14-19-20-16(22-14)12-4-2-1-3-5-12/h1-9,18H,10H2,(H2,17,21).
What are the key properties of 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide?
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide has a molecular weight of 294.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide is sourced from PubChem (CID 78793084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).