[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine

C12H20N2O2 — CID 62445866

IUPAC[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
SMILESCC1CCCCC1OCc1cc(CN)no1
InChIInChI=1S/C12H20N2O2/c1-9-4-2-3-5-12(9)15-8-11-6-10(7-13)14-16-11/h6,9,12H,2-5,7-8,13H2,1H3
InChIKeyNWGNYMKUKYXGMQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.23
Rot. Bonds4

About [5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine

[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 62445866) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
PubChem CID62445866
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
SMILESCC1CCCCC1OCc1cc(CN)no1
InChIInChI=1S/C12H20N2O2/c1-9-4-2-3-5-12(9)15-8-11-6-10(7-13)14-16-11/h6,9,12H,2-5,7-8,13H2,1H3
InChIKeyNWGNYMKUKYXGMQ-UHFFFAOYSA-N
XLogP2.23
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine (CID 62445866) is [5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine is CC1CCCCC1OCc1cc(CN)no1.
What is the InChIKey of [5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is NWGNYMKUKYXGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-4-2-3-5-12(9)15-8-11-6-10(7-13)14-16-11/h6,9,12H,2-5,7-8,13H2,1H3.
What are the key properties of [5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine?
[5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 224.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62445866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).