5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine

C14H16N2O — CID 66197889

IUPAC5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2c(N)noc2C2CCC2)c1
InChIInChI=1S/C14H16N2O/c1-9-4-2-7-11(8-9)12-13(10-5-3-6-10)17-16-14(12)15/h2,4,7-8,10H,3,5-6H2,1H3,(H2,15,16)
InChIKeyYQZQFWXHYUNLNM-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.50
Rot. Bonds2

About 5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine

5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66197889) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66197889
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2c(N)noc2C2CCC2)c1
InChIInChI=1S/C14H16N2O/c1-9-4-2-7-11(8-9)12-13(10-5-3-6-10)17-16-14(12)15/h2,4,7-8,10H,3,5-6H2,1H3,(H2,15,16)
InChIKeyYQZQFWXHYUNLNM-UHFFFAOYSA-N
XLogP3.50
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine (CID 66197889) is 5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine is Cc1cccc(-c2c(N)noc2C2CCC2)c1.
What is the InChIKey of 5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is YQZQFWXHYUNLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-4-2-7-11(8-9)12-13(10-5-3-6-10)17-16-14(12)15/h2,4,7-8,10H,3,5-6H2,1H3,(H2,15,16).
What are the key properties of 5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine?
5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 228.30 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66197889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).