3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine

C14H16N2O — CID 107001934

IUPAC3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine
SMILESCC1(C)CC1c1noc(N)c1-c1ccccc1
InChIInChI=1S/C14H16N2O/c1-14(2)8-10(14)12-11(13(15)17-16-12)9-6-4-3-5-7-9/h3-7,10H,8,15H2,1-2H3
InChIKeyAGSGGXALWIWWPM-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.44
Rot. Bonds2

About 3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine

3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine (PubChem CID 107001934) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine
PubChem CID107001934
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine
SMILESCC1(C)CC1c1noc(N)c1-c1ccccc1
InChIInChI=1S/C14H16N2O/c1-14(2)8-10(14)12-11(13(15)17-16-12)9-6-4-3-5-7-9/h3-7,10H,8,15H2,1-2H3
InChIKeyAGSGGXALWIWWPM-UHFFFAOYSA-N
XLogP3.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107001962
3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 107001939
3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 107001966
3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107001956
3-cyclohexyl-4-phenyl-1,2-oxazol-5-amine
CID 43158023
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine
CID 66395933
3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine
CID 106827668
3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine
CID 63015258
4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine
CID 107179729
3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine
CID 107001969
3-(5-methylfuran-2-yl)-4-phenyl-1,2-oxazol-5-amine
CID 43158036
4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 113439303

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine (CID 107001934) is 3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine is CC1(C)CC1c1noc(N)c1-c1ccccc1.
What is the InChIKey of 3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine?
The InChIKey is AGSGGXALWIWWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-14(2)8-10(14)12-11(13(15)17-16-12)9-6-4-3-5-7-9/h3-7,10H,8,15H2,1-2H3.
What are the key properties of 3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine?
3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine has a molecular weight of 228.29 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 107001934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).