2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile

C14H15N3O — CID 146091745

IUPAC2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile
SMILESCc1cc(CNCc2ccc(C#N)c(C)c2)no1
InChIInChI=1S/C14H15N3O/c1-10-5-12(3-4-13(10)7-15)8-16-9-14-6-11(2)18-17-14/h3-6,16H,8-9H2,1-2H3
InChIKeyIBTWWCLSYFOGNO-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.45
Rot. Bonds4

About 2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile

2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile (PubChem CID 146091745) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile
PubChem CID146091745
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile
SMILESCc1cc(CNCc2ccc(C#N)c(C)c2)no1
InChIInChI=1S/C14H15N3O/c1-10-5-12(3-4-13(10)7-15)8-16-9-14-6-11(2)18-17-14/h3-6,16H,8-9H2,1-2H3
InChIKeyIBTWWCLSYFOGNO-UHFFFAOYSA-N
XLogP2.45
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzonitrile
CID 63082603
4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide
CID 47124661
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60702122
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile
CID 79553621
2-methyl-4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]benzonitrile
CID 167958343
2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid
CID 103243740
4-(hydroxymethyl)-2-methylbenzonitrile
CID 59460759
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 60686114
4,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanenitrile
CID 115652749
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 62340417
(5-methyl-1,2-oxazol-3-yl)methylhydrazine
CID 66157923
3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 81106816

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile?
The IUPAC name of 2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile (CID 146091745) is 2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile?
The canonical SMILES for 2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile is Cc1cc(CNCc2ccc(C#N)c(C)c2)no1.
What is the InChIKey of 2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile?
The InChIKey is IBTWWCLSYFOGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-5-12(3-4-13(10)7-15)8-16-9-14-6-11(2)18-17-14/h3-6,16H,8-9H2,1-2H3.
What are the key properties of 2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile?
2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 146091745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).