1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine

C17H25N3O2 — CID 91835412

IUPAC1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
SMILESCc1noc(C)c1CN(C)Cc1cc(C2CCCCC2)no1
InChIInChI=1S/C17H25N3O2/c1-12-16(13(2)21-18-12)11-20(3)10-15-9-17(19-22-15)14-7-5-4-6-8-14/h9,14H,4-8,10-11H2,1-3H3
InChIKeyDKXNSEPQIGOMCG-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.96
Rot. Bonds5

About 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine

1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine (PubChem CID 91835412) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
PubChem CID91835412
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
SMILESCc1noc(C)c1CN(C)Cc1cc(C2CCCCC2)no1
InChIInChI=1S/C17H25N3O2/c1-12-16(13(2)21-18-12)11-20(3)10-15-9-17(19-22-15)14-7-5-4-6-8-14/h9,14H,4-8,10-11H2,1-3H3
InChIKeyDKXNSEPQIGOMCG-UHFFFAOYSA-N
XLogP3.96
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine (CID 91835412) is 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine is Cc1noc(C)c1CN(C)Cc1cc(C2CCCCC2)no1.
What is the InChIKey of 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine?
The InChIKey is DKXNSEPQIGOMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-16(13(2)21-18-12)11-20(3)10-15-9-17(19-22-15)14-7-5-4-6-8-14/h9,14H,4-8,10-11H2,1-3H3.
What are the key properties of 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine?
1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine has a molecular weight of 303.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 91835412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).