3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine

C14H16N2O — CID 82081360

IUPAC3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(C)c(-c2c(C3CC3)noc2N)c1
InChIInChI=1S/C14H16N2O/c1-8-3-4-9(2)11(7-8)12-13(10-5-6-10)16-17-14(12)15/h3-4,7,10H,5-6,15H2,1-2H3
InChIKeyNBBRXBDMVKPJDP-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.42
Rot. Bonds2

About 3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine

3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine (PubChem CID 82081360) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine
PubChem CID82081360
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(C)c(-c2c(C3CC3)noc2N)c1
InChIInChI=1S/C14H16N2O/c1-8-3-4-9(2)11(7-8)12-13(10-5-6-10)16-17-14(12)15/h3-4,7,10H,5-6,15H2,1-2H3
InChIKeyNBBRXBDMVKPJDP-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine
CID 82078789
methyl 5-amino-4-(2,5-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 82086057
3-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158169
3-cyclopentyl-4-(2,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 43335969
3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 54977909
4-(5-chloro-2-methoxyphenyl)-3-cyclopentyl-1,2-oxazol-5-amine
CID 43336109
3-cycloheptyl-4-(2-methoxyphenyl)-1,2-oxazol-5-amine
CID 62588706
3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107179756
3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
CID 43336233
4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine
CID 82091592
3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 62514498
3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335592

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine (CID 82081360) is 3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine is Cc1ccc(C)c(-c2c(C3CC3)noc2N)c1.
What is the InChIKey of 3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine?
The InChIKey is NBBRXBDMVKPJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-8-3-4-9(2)11(7-8)12-13(10-5-6-10)16-17-14(12)15/h3-4,7,10H,5-6,15H2,1-2H3.
What are the key properties of 3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine?
3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine has a molecular weight of 228.29 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 82081360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).