N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine

C16H15N3O2 — CID 46342000

IUPACN-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(CNc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C16H15N3O2/c1-20-14-9-7-12(8-10-14)11-17-16-18-15(19-21-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18,19)
InChIKeyWOVYQNDGLYIAOE-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.36
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine

N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine (PubChem CID 46342000) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
PubChem CID46342000
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(CNc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C16H15N3O2/c1-20-14-9-7-12(8-10-14)11-17-16-18-15(19-21-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18,19)
InChIKeyWOVYQNDGLYIAOE-UHFFFAOYSA-N
XLogP3.36
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
3-(3-methoxyphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133332822
methyl N-[4-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]carbamate
CID 133317526
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 46342115
N-[(4-methoxyphenyl)methyl]-5-phenyl-1,3-oxazol-2-amine
CID 25175386
3-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342168
3-(4-methoxyphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895154
N-[(4-methoxyphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238050
2-[3-[[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenoxy]acetic acid
CID 167809685
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291
N-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686701
N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342231

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine (CID 46342000) is N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine is COc1ccc(CNc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine?
The InChIKey is WOVYQNDGLYIAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-20-14-9-7-12(8-10-14)11-17-16-18-15(19-21-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18,19).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine?
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine has a molecular weight of 281.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 46342000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).