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

C13H13N3O — CID 106371995

IUPAC2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile
SMILESCCc1cnc(CNc2ccccc2C#N)o1
InChIInChI=1S/C13H13N3O/c1-2-11-8-16-13(17-11)9-15-12-6-4-3-5-10(12)7-14/h3-6,8,15H,2,9H2,1H3
InChIKeyWQDJQZMDRGYPFM-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.72
Rot. Bonds4

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

2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile (PubChem CID 106371995) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile
PubChem CID106371995
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile
SMILESCCc1cnc(CNc2ccccc2C#N)o1
InChIInChI=1S/C13H13N3O/c1-2-11-8-16-13(17-11)9-15-12-6-4-3-5-10(12)7-14/h3-6,8,15H,2,9H2,1H3
InChIKeyWQDJQZMDRGYPFM-UHFFFAOYSA-N
XLogP2.72
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile
CID 110651650
2-chloro-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile
CID 103764561
4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368933
4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 104969494
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 114180969
4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile
CID 106373504
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzonitrile
CID 43762446
2-[(3,5-dimethylphenyl)methylamino]benzonitrile
CID 54980162
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzonitrile
CID 110651950
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine
CID 106373414
6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106375419

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile?
The IUPAC name of 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile (CID 106371995) is 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile.
What is the SMILES notation for 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile?
The canonical SMILES for 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile is CCc1cnc(CNc2ccccc2C#N)o1.
What is the InChIKey of 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile?
The InChIKey is WQDJQZMDRGYPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-11-8-16-13(17-11)9-15-12-6-4-3-5-10(12)7-14/h3-6,8,15H,2,9H2,1H3.
What are the key properties of 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile?
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile has a molecular weight of 227.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile is sourced from PubChem (CID 106371995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).