3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine

C16H20N2O — CID 43158460

IUPAC3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCC(C)c1ccc(-c2c(C3CC3C)noc2N)cc1
InChIInChI=1S/C16H20N2O/c1-9(2)11-4-6-12(7-5-11)14-15(13-8-10(13)3)18-19-16(14)17/h4-7,9-10,13H,8,17H2,1-3H3
InChIKeyIGARFGNSBOEDOF-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.17
Rot. Bonds3

About 3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine

3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 43158460) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
PubChem CID43158460
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCC(C)c1ccc(-c2c(C3CC3C)noc2N)cc1
InChIInChI=1S/C16H20N2O/c1-9(2)11-4-6-12(7-5-11)14-15(13-8-10(13)3)18-19-16(14)17/h4-7,9-10,13H,8,17H2,1-3H3
InChIKeyIGARFGNSBOEDOF-UHFFFAOYSA-N
XLogP4.17
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107179756
3-(5-methylfuran-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 114821364
4-(4-propan-2-ylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63079960
4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine
CID 43336217
3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 103119559
3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107001962
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338
3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 79802924
3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine
CID 107001934
3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 107001939
4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine
CID 82091592
3-cyclohexyl-4-phenyl-1,2-oxazol-5-amine
CID 43158023

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine (CID 43158460) is 3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine is CC(C)c1ccc(-c2c(C3CC3C)noc2N)cc1.
What is the InChIKey of 3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is IGARFGNSBOEDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-9(2)11-4-6-12(7-5-11)14-15(13-8-10(13)3)18-19-16(14)17/h4-7,9-10,13H,8,17H2,1-3H3.
What are the key properties of 3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 256.35 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43158460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).