N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C16H20N2O3 — CID 112817167

IUPACN-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCC1CCC(NC(=O)c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C16H20N2O3/c1-2-11-5-7-12(8-6-11)17-16(19)13-10-15(21-18-13)14-4-3-9-20-14/h3-4,9-12H,2,5-8H2,1H3,(H,17,19)
InChIKeyUDMVMWNQKILPFO-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.63
Rot. Bonds4

About N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 112817167) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID112817167
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCC1CCC(NC(=O)c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C16H20N2O3/c1-2-11-5-7-12(8-6-11)17-16(19)13-10-15(21-18-13)14-4-3-9-20-14/h3-4,9-12H,2,5-8H2,1H3,(H,17,19)
InChIKeyUDMVMWNQKILPFO-UHFFFAOYSA-N
XLogP3.63
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 112817167) is N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is CCC1CCC(NC(=O)c2cc(-c3ccco3)on2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is UDMVMWNQKILPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-11-5-7-12(8-6-11)17-16(19)13-10-15(21-18-13)14-4-3-9-20-14/h3-4,9-12H,2,5-8H2,1H3,(H,17,19).
What are the key properties of N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 112817167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).