5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one

C15H13N3O2 — CID 102035420

IUPAC5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(NCc3ccccc3)cc2)o1
InChIInChI=1S/C15H13N3O2/c19-15-18-17-14(20-15)12-6-8-13(9-7-12)16-10-11-4-2-1-3-5-11/h1-9,16H,10H2,(H,18,19)
InChIKeyHSFXZKZSYKJCAW-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.64
Rot. Bonds4

About 5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one

5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 102035420) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID102035420
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2ccc(NCc3ccccc3)cc2)o1
InChIInChI=1S/C15H13N3O2/c19-15-18-17-14(20-15)12-6-8-13(9-7-12)16-10-11-4-2-1-3-5-11/h1-9,16H,10H2,(H,18,19)
InChIKeyHSFXZKZSYKJCAW-UHFFFAOYSA-N
XLogP2.64
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-tert-butylphenyl)-3H-1,3,4-oxadiazol-2-one
CID 858350
5-(4-amino-3-phenylmethoxyphenyl)-3H-1,3,4-oxadiazol-2-one
CID 167126250
N-benzyl-4-(5-chloro-1,3-benzoxazol-2-yl)aniline
CID 56737121
CID 163931246
CID 163931246
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
4-(benzylamino)-1H-pyridazin-6-one
CID 150739515
N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine
CID 11299717
3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile
CID 4019262
4-(benzylamino)phenol;hydrochloride
CID 16738613
N-benzyl-4-chloroaniline chloride
CID 45109713
[4-(benzylamino)phenyl]-phenylmethanone
CID 11208443
5-(3-bromophenyl)-3H-1,3,4-oxadiazol-2-one
CID 24874409

Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one (CID 102035420) is 5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2ccc(NCc3ccccc3)cc2)o1.
What is the InChIKey of 5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is HSFXZKZSYKJCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15-18-17-14(20-15)12-6-8-13(9-7-12)16-10-11-4-2-1-3-5-11/h1-9,16H,10H2,(H,18,19).
What are the key properties of 5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one?
5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 267.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzylamino)phenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 102035420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).