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

C16H25N3O2 — CID 75439956

IUPAC1-(3-cyclohexyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
SMILESCc1cc(CN(C)CC2CC(C3CCCCC3)=NO2)no1
InChIInChI=1S/C16H25N3O2/c1-12-8-14(17-20-12)10-19(2)11-15-9-16(18-21-15)13-6-4-3-5-7-13/h8,13,15H,3-7,9-11H2,1-2H3
InChIKeyAPRVZESECCLRAF-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.14
Rot. Bonds5

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

1-(3-cyclohexyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine (PubChem CID 75439956) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(3-cyclohexyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-cyclohexyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
PubChem CID75439956
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-(3-cyclohexyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
SMILESCc1cc(CN(C)CC2CC(C3CCCCC3)=NO2)no1
InChIInChI=1S/C16H25N3O2/c1-12-8-14(17-20-12)10-19(2)11-15-9-16(18-21-15)13-6-4-3-5-7-13/h8,13,15H,3-7,9-11H2,1-2H3
InChIKeyAPRVZESECCLRAF-UHFFFAOYSA-N
XLogP3.14
TPSA50.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(3-cyclohexyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine (CID 75439956) is 1-(3-cyclohexyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-cyclohexyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3-cyclohexyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine is Cc1cc(CN(C)CC2CC(C3CCCCC3)=NO2)no1.
What is the InChIKey of 1-(3-cyclohexyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?
The InChIKey is APRVZESECCLRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-8-14(17-20-12)10-19(2)11-15-9-16(18-21-15)13-6-4-3-5-7-13/h8,13,15H,3-7,9-11H2,1-2H3.
What are the key properties of 1-(3-cyclohexyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?
1-(3-cyclohexyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine has a molecular weight of 291.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine is sourced from PubChem (CID 75439956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).