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

C14H22N2O4 — CID 119034453

IUPACN-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC(C)(CO)C2CCCCC2)on1
InChIInChI=1S/C14H22N2O4/c1-14(9-17,10-6-4-3-5-7-10)15-13(18)11-8-12(19-2)16-20-11/h8,10,17H,3-7,9H2,1-2H3,(H,15,18)
InChIKeyILZJXQVXKTVFBL-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.74
Rot. Bonds5

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

N-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 119034453) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID119034453
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC(C)(CO)C2CCCCC2)on1
InChIInChI=1S/C14H22N2O4/c1-14(9-17,10-6-4-3-5-7-10)15-13(18)11-8-12(19-2)16-20-11/h8,10,17H,3-7,9H2,1-2H3,(H,15,18)
InChIKeyILZJXQVXKTVFBL-UHFFFAOYSA-N
XLogP1.74
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide (CID 119034453) is N-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NC(C)(CO)C2CCCCC2)on1.
What is the InChIKey of N-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is ILZJXQVXKTVFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(9-17,10-6-4-3-5-7-10)15-13(18)11-8-12(19-2)16-20-11/h8,10,17H,3-7,9H2,1-2H3,(H,15,18).
What are the key properties of N-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide?
N-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 119034453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).