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

C17H17N3O — CID 60975667

IUPAC1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1cccc(CNCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C17H17N3O/c1-13-6-5-7-14(10-13)11-18-12-16-19-20-17(21-16)15-8-3-2-4-9-15/h2-10,18H,11-12H2,1H3
InChIKeyNSUBHDGTLQSHOW-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.33
Rot. Bonds5

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

1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 60975667) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID60975667
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1cccc(CNCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C17H17N3O/c1-13-6-5-7-14(10-13)11-18-12-16-19-20-17(21-16)15-8-3-2-4-9-15/h2-10,18H,11-12H2,1H3
InChIKeyNSUBHDGTLQSHOW-UHFFFAOYSA-N
XLogP3.33
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60976880
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633
1-(6-methyl-3-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 62995674
1-(3-methyl-1,2-oxazol-5-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 62133800
4-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-amine
CID 18870599
1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 63305449
1-(4-butan-2-yloxy-3-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 46987949
5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969546
2,2-difluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 115406813
1-(1,2-oxazol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 81177965
3,3-dimethyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
CID 106146530
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 110652286

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 60975667) is 1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is Cc1cccc(CNCc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is NSUBHDGTLQSHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-6-5-7-14(10-13)11-18-12-16-19-20-17(21-16)15-8-3-2-4-9-15/h2-10,18H,11-12H2,1H3.
What are the key properties of 1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 279.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 60975667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).