N-[[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

C15H26N2O2 — CID 55072828

IUPACN-[[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(COC2CCCCC2C)on1
InChIInChI=1S/C15H26N2O2/c1-11(2)16-9-13-8-14(19-17-13)10-18-15-7-5-4-6-12(15)3/h8,11-12,15-16H,4-7,9-10H2,1-3H3
InChIKeySPLJEDOHJYUIOI-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.27
Rot. Bonds6

About N-[[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

N-[[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 55072828) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID55072828
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(COC2CCCCC2C)on1
InChIInChI=1S/C15H26N2O2/c1-11(2)16-9-13-8-14(19-17-13)10-18-15-7-5-4-6-12(15)3/h8,11-12,15-16H,4-7,9-10H2,1-3H3
InChIKeySPLJEDOHJYUIOI-UHFFFAOYSA-N
XLogP3.27
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 55072828) is N-[[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is CC(C)NCc1cc(COC2CCCCC2C)on1.
What is the InChIKey of N-[[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is SPLJEDOHJYUIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)16-9-13-8-14(19-17-13)10-18-15-7-5-4-6-12(15)3/h8,11-12,15-16H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 266.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55072828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).