ethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine

C16H25FN2O — CID 145020058

IUPACethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine
SMILESCC.CC.CC(C)Nc1oncc1-c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O.2C2H6/c1-8(2)15-12-11(7-14-16-12)9-3-5-10(13)6-4-9;2*1-2/h3-8,15H,1-2H3;2*1-2H3
InChIKeyTXRCGBJECVSMRM-UHFFFAOYSA-N
MW280.39 g/mol
LogP5.35
Rot. Bonds3

About ethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine

ethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine (PubChem CID 145020058) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is ethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Nameethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine
PubChem CID145020058
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Nameethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine
SMILESCC.CC.CC(C)Nc1oncc1-c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O.2C2H6/c1-8(2)15-12-11(7-14-16-12)9-3-5-10(13)6-4-9;2*1-2/h3-8,15H,1-2H3;2*1-2H3
InChIKeyTXRCGBJECVSMRM-UHFFFAOYSA-N
XLogP5.35
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.39
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide
CID 45030874
5-(4-fluorophenyl)-4-phenyl-1,2-oxazole
CID 101110707
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide
CID 110402703
5-(4-fluorophenyl)-4-(4-methylsulfinylphenyl)-1,2-oxazole
CID 101110710
4-(4-fluorophenyl)-5-(4-methylsulfinylphenyl)-1,2-oxazole
CID 101110708
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
5-(4-fluorophenyl)-1,2-oxazol-4-amine
CID 82410181
4-methyl-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
CID 110402217
3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide
CID 110402038
N-(4-phenyl-1,2-oxazol-5-yl)-4-propan-2-ylbenzamide
CID 110402056
5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
CID 110647364
4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 115053954

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine?
The IUPAC name of ethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine (CID 145020058) is ethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for ethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for ethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine is CC.CC.CC(C)Nc1oncc1-c1ccc(F)cc1.
What is the InChIKey of ethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine?
The InChIKey is TXRCGBJECVSMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O.2C2H6/c1-8(2)15-12-11(7-14-16-12)9-3-5-10(13)6-4-9;2*1-2/h3-8,15H,1-2H3;2*1-2H3.
What are the key properties of ethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine?
ethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine has a molecular weight of 280.39 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-fluorophenyl)-N-propan-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 145020058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).