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

C17H22N2O2 — CID 66198545

IUPAC5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(C)cc1-c1c(N)noc1CC1CCCC1
InChIInChI=1S/C17H22N2O2/c1-11-7-8-14(20-2)13(9-11)16-15(21-19-17(16)18)10-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H2,18,19)
InChIKeyQCVBHSXYAAVGBQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.97
Rot. Bonds4

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

5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66198545) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66198545
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(C)cc1-c1c(N)noc1CC1CCCC1
InChIInChI=1S/C17H22N2O2/c1-11-7-8-14(20-2)13(9-11)16-15(21-19-17(16)18)10-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H2,18,19)
InChIKeyQCVBHSXYAAVGBQ-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine (CID 66198545) is 5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine is COc1ccc(C)cc1-c1c(N)noc1CC1CCCC1.
What is the InChIKey of 5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is QCVBHSXYAAVGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-7-8-14(20-2)13(9-11)16-15(21-19-17(16)18)10-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H2,18,19).
What are the key properties of 5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 286.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).