3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine

C17H22N2O2 — CID 61263124

IUPAC3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2c(CCC3CCCC3)noc2N)c1
InChIInChI=1S/C17H22N2O2/c1-20-14-8-4-7-13(11-14)16-15(19-21-17(16)18)10-9-12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10,18H2,1H3
InChIKeyNJUBFJKTIFGRFQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.06
Rot. Bonds5

About 3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine

3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 61263124) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID61263124
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2c(CCC3CCCC3)noc2N)c1
InChIInChI=1S/C17H22N2O2/c1-20-14-8-4-7-13(11-14)16-15(19-21-17(16)18)10-9-12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10,18H2,1H3
InChIKeyNJUBFJKTIFGRFQ-UHFFFAOYSA-N
XLogP4.06
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromophenyl)-3-(2-cyclopentylethyl)-1,2-oxazol-5-amine
CID 43560862
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
4-(3-methoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
CID 62678255
4-(3-methoxyphenyl)-3-pentan-3-yl-1,2-oxazol-5-amine
CID 61262192
3-(3-methoxyphenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829950
4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66200693
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261442
3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61263311
5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
CID 114249586
4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119565
3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261819
5-(2-bicyclo[2.2.1]heptanyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200884

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine (CID 61263124) is 3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine is COc1cccc(-c2c(CCC3CCCC3)noc2N)c1.
What is the InChIKey of 3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is NJUBFJKTIFGRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-20-14-8-4-7-13(11-14)16-15(19-21-17(16)18)10-9-12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10,18H2,1H3.
What are the key properties of 3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 286.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylethyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 61263124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).