5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide

C15H24N2O3 — CID 126838169

IUPAC5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)c1ocnc1C(=O)NC1CCC(CO)CC1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)13-12(16-9-20-13)14(19)17-11-6-4-10(8-18)5-7-11/h9-11,18H,4-8H2,1-3H3,(H,17,19)
InChIKeyYBCLWPYXSHMBFE-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.25
Rot. Bonds3

About 5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide

5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide (PubChem CID 126838169) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide
PubChem CID126838169
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)(C)c1ocnc1C(=O)NC1CCC(CO)CC1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)13-12(16-9-20-13)14(19)17-11-6-4-10(8-18)5-7-11/h9-11,18H,4-8H2,1-3H3,(H,17,19)
InChIKeyYBCLWPYXSHMBFE-UHFFFAOYSA-N
XLogP2.25
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide (CID 126838169) is 5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide is CC(C)(C)c1ocnc1C(=O)NC1CCC(CO)CC1.
What is the InChIKey of 5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide?
The InChIKey is YBCLWPYXSHMBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)13-12(16-9-20-13)14(19)17-11-6-4-10(8-18)5-7-11/h9-11,18H,4-8H2,1-3H3,(H,17,19).
What are the key properties of 5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide?
5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126838169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).