ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane

C16H24N2O2 — CID 91575161

IUPACethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
SMILESCC.CCC.Cc1oncc1C(=O)Nc1ccccc1
InChIInChI=1S/C11H10N2O2.C3H8.C2H6/c1-8-10(7-12-15-8)11(14)13-9-5-3-2-4-6-9;1-3-2;1-2/h2-7H,1H3,(H,13,14);3H2,1-2H3;1-2H3
InChIKeyWOXLAAFKNZGHQB-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.68
Rot. Bonds2

About ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane

ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane (PubChem CID 91575161) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane.

Molecular Properties

Compound Nameethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
PubChem CID91575161
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
SMILESCC.CCC.Cc1oncc1C(=O)Nc1ccccc1
InChIInChI=1S/C11H10N2O2.C3H8.C2H6/c1-8-10(7-12-15-8)11(14)13-9-5-3-2-4-6-9;1-3-2;1-2/h2-7H,1H3,(H,13,14);3H2,1-2H3;1-2H3
InChIKeyWOXLAAFKNZGHQB-UHFFFAOYSA-N
XLogP4.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850525
N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 15871088
N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850891
5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 19871639
3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
CID 115339293
3-ethyl-5-methyl-N-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 51125656
5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 850304
5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 43409696
2-[1-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]indol-3-yl]acetic acid
CID 25106081
N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide
CID 67841632

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane?
The IUPAC name of ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane (CID 91575161) is ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane.
What is the SMILES notation for ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane?
The canonical SMILES for ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane is CC.CCC.Cc1oncc1C(=O)Nc1ccccc1.
What is the InChIKey of ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane?
The InChIKey is WOXLAAFKNZGHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2.C3H8.C2H6/c1-8-10(7-12-15-8)11(14)13-9-5-3-2-4-6-9;1-3-2;1-2/h2-7H,1H3,(H,13,14);3H2,1-2H3;1-2H3.
What are the key properties of ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane?
ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane has a molecular weight of 276.38 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane is sourced from PubChem (CID 91575161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).