4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine

C17H22N2O2 — CID 63950754

IUPAC4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine
SMILESCc1cccc(-c2c(CCC3CCCCO3)noc2N)c1
InChIInChI=1S/C17H22N2O2/c1-12-5-4-6-13(11-12)16-15(19-21-17(16)18)9-8-14-7-2-3-10-20-14/h4-6,11,14H,2-3,7-10,18H2,1H3
InChIKeyOBKPWKGNGZBYIY-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.73
Rot. Bonds4

About 4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine

4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine (PubChem CID 63950754) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine
PubChem CID63950754
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine
SMILESCc1cccc(-c2c(CCC3CCCCO3)noc2N)c1
InChIInChI=1S/C17H22N2O2/c1-12-5-4-6-13(11-12)16-15(19-21-17(16)18)9-8-14-7-2-3-10-20-14/h4-6,11,14H,2-3,7-10,18H2,1H3
InChIKeyOBKPWKGNGZBYIY-UHFFFAOYSA-N
XLogP3.73
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 80525003
4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine
CID 43560862
3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61263124
5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66197889
5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 103167445
3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829610
4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
CID 62831172
4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine
CID 62365708
3-methyl-N-(oxan-2-ylmethyl)aniline
CID 43403452
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390
3-(3-methoxyphenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829950
N-[2-(3-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163255

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine (CID 63950754) is 4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine is Cc1cccc(-c2c(CCC3CCCCO3)noc2N)c1.
What is the InChIKey of 4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine?
The InChIKey is OBKPWKGNGZBYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-5-4-6-13(11-12)16-15(19-21-17(16)18)9-8-14-7-2-3-10-20-14/h4-6,11,14H,2-3,7-10,18H2,1H3.
What are the key properties of 4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine?
4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine has a molecular weight of 286.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-3-[2-(oxan-2-yl)ethyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 63950754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).