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

C15H18N2O — CID 103167445

IUPAC5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2c(N)noc2CC2CCC2)c1
InChIInChI=1S/C15H18N2O/c1-10-4-2-7-12(8-10)14-13(18-17-15(14)16)9-11-5-3-6-11/h2,4,7-8,11H,3,5-6,9H2,1H3,(H2,16,17)
InChIKeyYHGUPDWOINOPCX-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.57
Rot. Bonds3

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

5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 103167445) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
PubChem CID103167445
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cccc(-c2c(N)noc2CC2CCC2)c1
InChIInChI=1S/C15H18N2O/c1-10-4-2-7-12(8-10)14-13(18-17-15(14)16)9-11-5-3-6-11/h2,4,7-8,11H,3,5-6,9H2,1H3,(H2,16,17)
InChIKeyYHGUPDWOINOPCX-UHFFFAOYSA-N
XLogP3.57
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine
CID 66198710
4-(3-bromophenyl)-5-(cyclopropylmethyl)-1,2-oxazol-3-amine
CID 66200452
5-(2-bicyclo[2.2.1]heptanylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198674
5-(cyclobutylmethyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 103167465
5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66197889
5-(2,2-dimethylpropyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66199678
5-(cyclobutylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 103167415
5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62829064
5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114458043
5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 66198545
4-(4-chlorophenyl)-5-(cyclopentylmethyl)-1,2-oxazol-3-amine
CID 66200930
5-(cycloheptylmethyl)-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 114459367

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine (CID 103167445) is 5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine is Cc1cccc(-c2c(N)noc2CC2CCC2)c1.
What is the InChIKey of 5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is YHGUPDWOINOPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-4-2-7-12(8-10)14-13(18-17-15(14)16)9-11-5-3-6-11/h2,4,7-8,11H,3,5-6,9H2,1H3,(H2,16,17).
What are the key properties of 5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine?
5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 242.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 103167445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).