4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine

C11H14N2O — CID 59323805

IUPAC4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(c1ccccc1)C1COC(N)=N1
InChIInChI=1S/C11H14N2O/c1-8(9-5-3-2-4-6-9)10-7-14-11(12)13-10/h2-6,8,10H,7H2,1H3,(H2,12,13)
InChIKeyLDIIKMZTASOTJB-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.50
Rot. Bonds2

About 4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine

4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323805) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323805
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(c1ccccc1)C1COC(N)=N1
InChIInChI=1S/C11H14N2O/c1-8(9-5-3-2-4-6-9)10-7-14-11(12)13-10/h2-6,8,10H,7H2,1H3,(H2,12,13)
InChIKeyLDIIKMZTASOTJB-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323844
(4S)-2-[phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 102082599
(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966828
4-[(2,6-dichlorophenyl)-methoxymethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67934009
(4S)-4-propan-2-yl-2-[(15S,16S)-16-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-4,5-dihydro-1,3-oxazole
CID 102113883
[(S)-phenyl-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methyl] 2-methylpropanoate
CID 10892654
(2S)-2-[(1S)-1-phenylethyl]oxolane
CID 118374007
trimethyl-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1-phenylpropyl]silane
CID 101496989
3-(1-phenylethyl)oxolane
CID 150323599
3-(1-phenylethyl)dioxolane
CID 19709455
4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 123940471
2-[(R)-fluoro(phenyl)methyl]oxirane
CID 87788232

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59323805) is 4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine is CC(c1ccccc1)C1COC(N)=N1.
What is the InChIKey of 4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is LDIIKMZTASOTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(9-5-3-2-4-6-9)10-7-14-11(12)13-10/h2-6,8,10H,7H2,1H3,(H2,12,13).
What are the key properties of 4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine?
4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 190.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).