N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine

C11H18N2O — CID 73349510

IUPACN-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(NCC2CCCCC2)no1
InChIInChI=1S/C11H18N2O/c1-9-7-11(13-14-9)12-8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,12,13)
InChIKeyKJYJHGLAKXVKOB-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.98
Rot. Bonds3

About N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine

N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine (PubChem CID 73349510) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine
PubChem CID73349510
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(NCC2CCCCC2)no1
InChIInChI=1S/C11H18N2O/c1-9-7-11(13-14-9)12-8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,12,13)
InChIKeyKJYJHGLAKXVKOB-UHFFFAOYSA-N
XLogP2.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine (CID 73349510) is N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine is Cc1cc(NCC2CCCCC2)no1.
What is the InChIKey of N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine?
The InChIKey is KJYJHGLAKXVKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-7-11(13-14-9)12-8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,12,13).
What are the key properties of N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine?
N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine has a molecular weight of 194.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 73349510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).