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

C16H20N2O2 — CID 66200945

IUPAC5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(C)cc1-c1c(N)noc1C1CCCC1
InChIInChI=1S/C16H20N2O2/c1-10-7-8-13(19-2)12(9-10)14-15(20-18-16(14)17)11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3,(H2,17,18)
InChIKeyLDJSOCQKLPETMU-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.90
Rot. Bonds3

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

5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66200945) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66200945
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(C)cc1-c1c(N)noc1C1CCCC1
InChIInChI=1S/C16H20N2O2/c1-10-7-8-13(19-2)12(9-10)14-15(20-18-16(14)17)11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3,(H2,17,18)
InChIKeyLDJSOCQKLPETMU-UHFFFAOYSA-N
XLogP3.90
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine (CID 66200945) is 5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine is COc1ccc(C)cc1-c1c(N)noc1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is LDJSOCQKLPETMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-7-8-13(19-2)12(9-10)14-15(20-18-16(14)17)11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3,(H2,17,18).
What are the key properties of 5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 272.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).