5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile

C13H13N3O2 — CID 163347594

IUPAC5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile
SMILESCN(CCO)c1oc(-c2ccccc2)nc1C#N
InChIInChI=1S/C13H13N3O2/c1-16(7-8-17)13-11(9-14)15-12(18-13)10-5-3-2-4-6-10/h2-6,17H,7-8H2,1H3
InChIKeyRAIAIXLSAAUEQJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.64
Rot. Bonds4

About 5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile

5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile (PubChem CID 163347594) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile
PubChem CID163347594
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile
SMILESCN(CCO)c1oc(-c2ccccc2)nc1C#N
InChIInChI=1S/C13H13N3O2/c1-16(7-8-17)13-11(9-14)15-12(18-13)10-5-3-2-4-6-10/h2-6,17H,7-8H2,1H3
InChIKeyRAIAIXLSAAUEQJ-UHFFFAOYSA-N
XLogP1.64
TPSA73.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)-methylamino]acetic acid
CID 155943118
5-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 118984545
N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-methylbenzohydrazide
CID 15892647
4-acetyl-N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
CID 154811070
N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 154811076
2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
CID 18822681
5-ethoxy-2-(5-ethoxy-2-phenyl-1,3-oxazol-4-yl)-1,3-oxazole-4-carbonitrile
CID 14931728
5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 51064692
N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine
CID 54228518
N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 154811074
2-(4-formylphenyl)-5-phenyl-1,3-oxazole-4-carbonitrile
CID 143438347
2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 5152099

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile (CID 163347594) is 5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile is CN(CCO)c1oc(-c2ccccc2)nc1C#N.
What is the InChIKey of 5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile?
The InChIKey is RAIAIXLSAAUEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16(7-8-17)13-11(9-14)15-12(18-13)10-5-3-2-4-6-10/h2-6,17H,7-8H2,1H3.
What are the key properties of 5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile?
5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 163347594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).