N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C16H26N2O3 — CID 65124016

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C16H26N2O3/c1-10(2)14-13(12(4)18-21-14)15(19)17-9-16(20)7-5-6-11(3)8-16/h10-11,20H,5-9H2,1-4H3,(H,17,19)
InChIKeyGTIHZAWNJUGHRH-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.78
Rot. Bonds4

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 65124016) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID65124016
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C16H26N2O3/c1-10(2)14-13(12(4)18-21-14)15(19)17-9-16(20)7-5-6-11(3)8-16/h10-11,20H,5-9H2,1-4H3,(H,17,19)
InChIKeyGTIHZAWNJUGHRH-UHFFFAOYSA-N
XLogP2.78
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 65124016) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NCC1(O)CCCC(C)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is GTIHZAWNJUGHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-10(2)14-13(12(4)18-21-14)15(19)17-9-16(20)7-5-6-11(3)8-16/h10-11,20H,5-9H2,1-4H3,(H,17,19).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 65124016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).