4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine

C11H14N2O — CID 118988981

IUPAC4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCC1N=C(N)OC1c1ccccc1
InChIInChI=1S/C11H14N2O/c1-2-9-10(14-11(12)13-9)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H2,12,13)
InChIKeyCJPPEGNFEKMVHZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.85
Rot. Bonds2

About 4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine

4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 118988981) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID118988981
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCC1N=C(N)OC1c1ccccc1
InChIInChI=1S/C11H14N2O/c1-2-9-10(14-11(12)13-9)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H2,12,13)
InChIKeyCJPPEGNFEKMVHZ-UHFFFAOYSA-N
XLogP1.85
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 13282600
(4S,5R)-4-ethyl-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole
CID 89325688
(4S,5R)-4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 119058040
[(4S,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 15259255
(2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl acetate
CID 163623507
(4S,5S)-4-(methoxymethyl)-5-phenyl-2-(3-phenyloxiran-2-yl)-4,5-dihydro-1,3-oxazole
CID 101115518
2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 155889518
N,N,4-trimethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
CID 15112120
(4S,5R)-4-methyl-5-[4-(trideuteriomethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine;hydrochloride
CID 169438868
(3Z)-3-[[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-amine
CID 101110180
(4S,5S)-2-[(2S)-hexan-2-yl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 134997019
(4R,5R)-2-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 90840286

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine (CID 118988981) is 4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine is CCC1N=C(N)OC1c1ccccc1.
What is the InChIKey of 4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is CJPPEGNFEKMVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-9-10(14-11(12)13-9)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3,(H2,12,13).
What are the key properties of 4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine?
4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 190.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 118988981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).