N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C15H24N2O4 — CID 66156972

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NCC2(O)CCC(C)(C)CC2)no1
InChIInChI=1S/C15H24N2O4/c1-14(2)4-6-15(19,7-5-14)10-16-13(18)12-8-11(9-20-3)21-17-12/h8,19H,4-7,9-10H2,1-3H3,(H,16,18)
InChIKeyXBVMIXANMBOHMF-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.88
Rot. Bonds5

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 66156972) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID66156972
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NCC2(O)CCC(C)(C)CC2)no1
InChIInChI=1S/C15H24N2O4/c1-14(2)4-6-15(19,7-5-14)10-16-13(18)12-8-11(9-20-3)21-17-12/h8,19H,4-7,9-10H2,1-3H3,(H,16,18)
InChIKeyXBVMIXANMBOHMF-UHFFFAOYSA-N
XLogP1.88
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 66156972) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NCC2(O)CCC(C)(C)CC2)no1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XBVMIXANMBOHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-14(2)4-6-15(19,7-5-14)10-16-13(18)12-8-11(9-20-3)21-17-12/h8,19H,4-7,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66156972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).