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

C14H15N3O — CID 106372447

IUPAC3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile
SMILESCc1cnc(CNCC(C#N)c2ccccc2)o1
InChIInChI=1S/C14H15N3O/c1-11-8-17-14(18-11)10-16-9-13(7-15)12-5-3-2-4-6-12/h2-6,8,13,16H,9-10H2,1H3
InChIKeyZAHLCDGRBOUQPQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.38
Rot. Bonds5

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

3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile (PubChem CID 106372447) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile
PubChem CID106372447
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile
SMILESCc1cnc(CNCC(C#N)c2ccccc2)o1
InChIInChI=1S/C14H15N3O/c1-11-8-17-14(18-11)10-16-9-13(7-15)12-5-3-2-4-6-12/h2-6,8,13,16H,9-10H2,1H3
InChIKeyZAHLCDGRBOUQPQ-UHFFFAOYSA-N
XLogP2.38
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate
CID 106372343
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795
3-[(5-ethylthiophen-2-yl)methylamino]-2-phenylpropanenitrile
CID 106011074
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
CID 106373563
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propane-1,2-diol
CID 106371905
4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 113252142
2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid
CID 106373556
2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
CID 106371943
3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
CID 64538441
3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile
CID 64536413
3-(3-methylbutylamino)-2-phenylpropanenitrile
CID 64533176
1-(2-methoxyphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106372231

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile?
The IUPAC name of 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile (CID 106372447) is 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile is Cc1cnc(CNCC(C#N)c2ccccc2)o1.
What is the InChIKey of 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile?
The InChIKey is ZAHLCDGRBOUQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-11-8-17-14(18-11)10-16-9-13(7-15)12-5-3-2-4-6-12/h2-6,8,13,16H,9-10H2,1H3.
What are the key properties of 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile?
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile has a molecular weight of 241.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile is sourced from PubChem (CID 106372447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).