N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide

C18H18N4O2 — CID 110651765

IUPACN-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2nnc(-c3ccc(C)cc3)o2)c1
InChIInChI=1S/C18H18N4O2/c1-12-6-8-14(9-7-12)18-22-21-17(24-18)11-19-15-4-3-5-16(10-15)20-13(2)23/h3-10,19H,11H2,1-2H3,(H,20,23)
InChIKeyIMSNEAGSSABGFW-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.62
Rot. Bonds5

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

N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide (PubChem CID 110651765) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
PubChem CID110651765
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2nnc(-c3ccc(C)cc3)o2)c1
InChIInChI=1S/C18H18N4O2/c1-12-6-8-14(9-7-12)18-22-21-17(24-18)11-19-15-4-3-5-16(10-15)20-13(2)23/h3-10,19H,11H2,1-2H3,(H,20,23)
InChIKeyIMSNEAGSSABGFW-UHFFFAOYSA-N
XLogP3.62
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
CID 110652353
methyl N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]carbamate
CID 71918805
3,4-dimethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110651721
N-(3-acetamidophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330586
1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 99624007
1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 110652203
N-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]phenyl]acetamide
CID 43524723
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793084
2-ethyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110651725
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55865297
N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9071658
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9090477

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide (CID 110651765) is N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide is CC(=O)Nc1cccc(NCc2nnc(-c3ccc(C)cc3)o2)c1.
What is the InChIKey of N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide?
The InChIKey is IMSNEAGSSABGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-6-8-14(9-7-12)18-22-21-17(24-18)11-19-15-4-3-5-16(10-15)20-13(2)23/h3-10,19H,11H2,1-2H3,(H,20,23).
What are the key properties of N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide?
N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide is sourced from PubChem (CID 110651765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).