N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide

C15H24N2O3 — CID 126831267

IUPACN-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide
SMILESCOc1cc(CNC(=O)C2CC(C)CC(C)(C)C2)on1
InChIInChI=1S/C15H24N2O3/c1-10-5-11(8-15(2,3)7-10)14(18)16-9-12-6-13(19-4)17-20-12/h6,10-11H,5,7-9H2,1-4H3,(H,16,18)
InChIKeyPRDZEIPKBUUEJY-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.76
Rot. Bonds4

About N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide

N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide (PubChem CID 126831267) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide
PubChem CID126831267
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide
SMILESCOc1cc(CNC(=O)C2CC(C)CC(C)(C)C2)on1
InChIInChI=1S/C15H24N2O3/c1-10-5-11(8-15(2,3)7-10)14(18)16-9-12-6-13(19-4)17-20-12/h6,10-11H,5,7-9H2,1-4H3,(H,16,18)
InChIKeyPRDZEIPKBUUEJY-UHFFFAOYSA-N
XLogP2.76
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide (CID 126831267) is N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide is COc1cc(CNC(=O)C2CC(C)CC(C)(C)C2)on1.
What is the InChIKey of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide?
The InChIKey is PRDZEIPKBUUEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10-5-11(8-15(2,3)7-10)14(18)16-9-12-6-13(19-4)17-20-12/h6,10-11H,5,7-9H2,1-4H3,(H,16,18).
What are the key properties of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide?
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3,3,5-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 126831267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).