2-ethyl-4-methyl-N-(4-phenyloxan-4-yl)-1,3-oxazole-5-carboxamide

C18H22N2O3 — CID 122568439

IUPAC2-ethyl-4-methyl-N-(4-phenyloxan-4-yl)-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC2(c3ccccc3)CCOCC2)o1
InChIInChI=1S/C18H22N2O3/c1-3-15-19-13(2)16(23-15)17(21)20-18(9-11-22-12-10-18)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,20,21)
InChIKeyDJDGMCGHTOOVPH-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.98
Rot. Bonds4

About 2-ethyl-4-methyl-N-(4-phenyloxan-4-yl)-1,3-oxazole-5-carboxamide

2-ethyl-4-methyl-N-(4-phenyloxan-4-yl)-1,3-oxazole-5-carboxamide (PubChem CID 122568439) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-(4-phenyloxan-4-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-(4-phenyloxan-4-yl)-1,3-oxazole-5-carboxamide
PubChem CID122568439
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-ethyl-4-methyl-N-(4-phenyloxan-4-yl)-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC2(c3ccccc3)CCOCC2)o1
InChIInChI=1S/C18H22N2O3/c1-3-15-19-13(2)16(23-15)17(21)20-18(9-11-22-12-10-18)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,20,21)
InChIKeyDJDGMCGHTOOVPH-UHFFFAOYSA-N
XLogP2.98
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide
CID 131934351
N-(4-phenyloxan-4-yl)furan-3-carboxamide
CID 110466381
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 104630686
2-[(3S)-oxolan-3-yl]-N-(4-phenyloxan-4-yl)acetamide
CID 125440939
6-morpholin-4-yl-N-(1-phenylcyclobutyl)pyridine-3-carboxamide
CID 51075067
2-ethyl-4-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-oxazole-5-carboxamide
CID 131917366
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide
CID 139000344
N-(1-phenylcyclopropyl)propanamide
CID 110441332
2-ethyl-4-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-oxazole-5-carboxamide
CID 86700839
N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide
CID 138992450
3-acetamido-2-methyl-N-(3-phenyloxolan-3-yl)benzamide
CID 154847774
6-(chloroamino)-N-(4-phenyloxan-4-yl)hexanamide
CID 130330486

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-(4-phenyloxan-4-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-(4-phenyloxan-4-yl)-1,3-oxazole-5-carboxamide (CID 122568439) is 2-ethyl-4-methyl-N-(4-phenyloxan-4-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-(4-phenyloxan-4-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-(4-phenyloxan-4-yl)-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NC2(c3ccccc3)CCOCC2)o1.
What is the InChIKey of 2-ethyl-4-methyl-N-(4-phenyloxan-4-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is DJDGMCGHTOOVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-15-19-13(2)16(23-15)17(21)20-18(9-11-22-12-10-18)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,20,21).
What are the key properties of 2-ethyl-4-methyl-N-(4-phenyloxan-4-yl)-1,3-oxazole-5-carboxamide?
2-ethyl-4-methyl-N-(4-phenyloxan-4-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-(4-phenyloxan-4-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 122568439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).