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

C14H22N2O3 — CID 65119604

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C14H22N2O3/c1-10-11(8-16-19-10)12(17)15-9-14(18)6-4-13(2,3)5-7-14/h8,18H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyKOFYCLAPUNMDBC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.04
Rot. Bonds3

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

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 65119604) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID65119604
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C14H22N2O3/c1-10-11(8-16-19-10)12(17)15-9-14(18)6-4-13(2,3)5-7-14/h8,18H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyKOFYCLAPUNMDBC-UHFFFAOYSA-N
XLogP2.04
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65122812
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66334355
N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 103969910
1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443407
2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide
CID 106686929
2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119121
5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107372076
5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 104786143
N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide
CID 114618563
5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 72719907
2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107075481

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 65119604) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KOFYCLAPUNMDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-11(8-16-19-10)12(17)15-9-14(18)6-4-13(2,3)5-7-14/h8,18H,4-7,9H2,1-3H3,(H,15,17).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 65119604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).