[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine

C16H15N3O2 — CID 106484747

IUPAC[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H15N3O2/c17-10-12-6-8-14(9-7-12)20-11-15-18-16(21-19-15)13-4-2-1-3-5-13/h1-9H,10-11,17H2
InChIKeyJJDFPTWNYUFQKN-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.77
Rot. Bonds5

About [4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine

[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine (PubChem CID 106484747) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is [4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
PubChem CID106484747
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H15N3O2/c17-10-12-6-8-14(9-7-12)20-11-15-18-16(21-19-15)13-4-2-1-3-5-13/h1-9H,10-11,17H2
InChIKeyJJDFPTWNYUFQKN-UHFFFAOYSA-N
XLogP2.77
TPSA74.17 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692252
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844357
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
3-[(2,6-dichlorophenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 78848420
4-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline
CID 61035214
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
5-(3-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 42692369
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63844535
2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937955
N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine
CID 10758928

Frequently Asked Questions

What is the IUPAC name of [4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of [4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine (CID 106484747) is [4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine is NCc1ccc(OCc2noc(-c3ccccc3)n2)cc1.
What is the InChIKey of [4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
The InChIKey is JJDFPTWNYUFQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-10-12-6-8-14(9-7-12)20-11-15-18-16(21-19-15)13-4-2-1-3-5-13/h1-9H,10-11,17H2.
What are the key properties of [4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine has a molecular weight of 281.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 106484747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).