N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine

C16H15N3O — CID 106392234

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine
SMILESc1ccc(-c2ccc(CNCc3ncon3)cc2)cc1
InChIInChI=1S/C16H15N3O/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)10-17-11-16-18-12-20-19-16/h1-9,12,17H,10-11H2
InChIKeyDMQXPWQFHVNOOX-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.03
Rot. Bonds5

About N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine

N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine (PubChem CID 106392234) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine
PubChem CID106392234
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine
SMILESc1ccc(-c2ccc(CNCc3ncon3)cc2)cc1
InChIInChI=1S/C16H15N3O/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)10-17-11-16-18-12-20-19-16/h1-9,12,17H,10-11H2
InChIKeyDMQXPWQFHVNOOX-UHFFFAOYSA-N
XLogP3.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114183090
1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114182980
N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393956
1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea
CID 103670811
2-fluoro-4-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]benzoic acid
CID 106401821
N-(1,2,4-oxadiazol-3-ylmethyl)-3-phenylprop-2-yn-1-amine
CID 106399101
N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine
CID 106392652
1-(3-ethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106394000
1-(2-ethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392785
1-(2-methyl-3-phenylimidazol-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392406

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine (CID 106392234) is N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine is c1ccc(-c2ccc(CNCc3ncon3)cc2)cc1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine?
The InChIKey is DMQXPWQFHVNOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)10-17-11-16-18-12-20-19-16/h1-9,12,17H,10-11H2.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine?
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine has a molecular weight of 265.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine is sourced from PubChem (CID 106392234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).