1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine

C14H18N2O — CID 83850381

IUPAC1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine
SMILESCC(C)c1c(-c2ccccc2)noc1C(C)N
InChIInChI=1S/C14H18N2O/c1-9(2)12-13(11-7-5-4-6-8-11)16-17-14(12)10(3)15/h4-10H,15H2,1-3H3
InChIKeyTUQOMXXOWSBYNF-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.48
Rot. Bonds3

About 1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine

1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine (PubChem CID 83850381) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine
PubChem CID83850381
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine
SMILESCC(C)c1c(-c2ccccc2)noc1C(C)N
InChIInChI=1S/C14H18N2O/c1-9(2)12-13(11-7-5-4-6-8-11)16-17-14(12)10(3)15/h4-10H,15H2,1-3H3
InChIKeyTUQOMXXOWSBYNF-UHFFFAOYSA-N
XLogP3.48
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 21317239
5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 162957038
3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole
CID 126625276
1-[3-phenyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,2-oxazol-4-yl]ethanol
CID 11016646
1,3,5-triphenyl-2,4,6-tri(propan-2-yl)benzene
CID 175984465
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride
CID 120835072
methanamine;methane;3-phenyl-1,2-benzoxazole
CID 175235324
3,5-diphenyl-1,2-oxazol-4-amine
CID 15554723
4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole
CID 10263127
5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine
CID 66200306
1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine
CID 83850126
5-[(1S)-1-hydroxyethyl]-N-methyl-3-phenyl-N-propyl-1,2-oxazole-4-carboxamide
CID 100632561

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine?
The IUPAC name of 1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine (CID 83850381) is 1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine is CC(C)c1c(-c2ccccc2)noc1C(C)N.
What is the InChIKey of 1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine?
The InChIKey is TUQOMXXOWSBYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(2)12-13(11-7-5-4-6-8-11)16-17-14(12)10(3)15/h4-10H,15H2,1-3H3.
What are the key properties of 1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine?
1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine has a molecular weight of 230.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine is sourced from PubChem (CID 83850381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).