5-(2-cyclohexylethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine

C15H26N2O — CID 66198063

IUPAC5-(2-cyclohexylethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCC(C)Cc1c(N)noc1CCC1CCCCC1
InChIInChI=1S/C15H26N2O/c1-11(2)10-13-14(18-17-15(13)16)9-8-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H2,16,17)
InChIKeyYRQQQJZHQMQXLC-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.97
Rot. Bonds5

About 5-(2-cyclohexylethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine

5-(2-cyclohexylethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine (PubChem CID 66198063) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
PubChem CID66198063
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-(2-cyclohexylethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCC(C)Cc1c(N)noc1CCC1CCCCC1
InChIInChI=1S/C15H26N2O/c1-11(2)10-13-14(18-17-15(13)16)9-8-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H2,16,17)
InChIKeyYRQQQJZHQMQXLC-UHFFFAOYSA-N
XLogP3.97
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-cyclohexylethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine (CID 66198063) is 5-(2-cyclohexylethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-cyclohexylethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-cyclohexylethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine is CC(C)Cc1c(N)noc1CCC1CCCCC1.
What is the InChIKey of 5-(2-cyclohexylethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The InChIKey is YRQQQJZHQMQXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)10-13-14(18-17-15(13)16)9-8-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H2,16,17).
What are the key properties of 5-(2-cyclohexylethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine?
5-(2-cyclohexylethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine has a molecular weight of 250.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)-4-(2-methylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).