5-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole

C16H22N2O — CID 163926999

IUPAC5-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole
SMILESCc1oc(C2CCNCC2)nc1C1=CCC(C)C=C1
InChIInChI=1S/C16H22N2O/c1-11-3-5-13(6-4-11)15-12(2)19-16(18-15)14-7-9-17-10-8-14/h3,5-6,11,14,17H,4,7-10H2,1-2H3
InChIKeyRFJBOLRFAOINAV-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.43
Rot. Bonds2

About 5-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole

5-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole (PubChem CID 163926999) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole
PubChem CID163926999
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name5-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole
SMILESCc1oc(C2CCNCC2)nc1C1=CCC(C)C=C1
InChIInChI=1S/C16H22N2O/c1-11-3-5-13(6-4-11)15-12(2)19-16(18-15)14-7-9-17-10-8-14/h3,5-6,11,14,17H,4,7-10H2,1-2H3
InChIKeyRFJBOLRFAOINAV-UHFFFAOYSA-N
XLogP3.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole?
The IUPAC name of 5-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole (CID 163926999) is 5-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole is Cc1oc(C2CCNCC2)nc1C1=CCC(C)C=C1.
What is the InChIKey of 5-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole?
The InChIKey is RFJBOLRFAOINAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-3-5-13(6-4-11)15-12(2)19-16(18-15)14-7-9-17-10-8-14/h3,5-6,11,14,17H,4,7-10H2,1-2H3.
What are the key properties of 5-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole?
5-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole has a molecular weight of 258.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-2-piperidin-4-yl-1,3-oxazole is sourced from PubChem (CID 163926999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).