N-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

C14H22N2O3 — CID 86792265

IUPACN-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(CO)C2CCCCC2)no1
InChIInChI=1S/C14H22N2O3/c1-10-8-12(16-19-10)13(18)15-14(2,9-17)11-6-4-3-5-7-11/h8,11,17H,3-7,9H2,1-2H3,(H,15,18)
InChIKeyCQMLWSHCYIKGPK-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.04
Rot. Bonds4

About N-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

N-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 86792265) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID86792265
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(CO)C2CCCCC2)no1
InChIInChI=1S/C14H22N2O3/c1-10-8-12(16-19-10)13(18)15-14(2,9-17)11-6-4-3-5-7-11/h8,11,17H,3-7,9H2,1-2H3,(H,15,18)
InChIKeyCQMLWSHCYIKGPK-UHFFFAOYSA-N
XLogP2.04
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 86792265) is N-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC(C)(CO)C2CCCCC2)no1.
What is the InChIKey of N-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is CQMLWSHCYIKGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-8-12(16-19-10)13(18)15-14(2,9-17)11-6-4-3-5-7-11/h8,11,17H,3-7,9H2,1-2H3,(H,15,18).
What are the key properties of N-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86792265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).