ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide

C13H25FN2O2 — CID 170582956

IUPACethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide
SMILESCC.CC.CCC(=O)Nc1cc(C(C)(C)F)no1
InChIInChI=1S/C9H13FN2O2.2C2H6/c1-4-7(13)11-8-5-6(12-14-8)9(2,3)10;2*1-2/h5H,4H2,1-3H3,(H,11,13);2*1-2H3
InChIKeyRAJSJHDBWRZKCB-UHFFFAOYSA-N
MW260.35 g/mol
LogP4.28
Rot. Bonds3

About ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide

ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide (PubChem CID 170582956) has the molecular formula C13H25FN2O2 and a molecular weight of 260.35 g/mol. Its IUPAC name is ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Nameethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide
PubChem CID170582956
Molecular FormulaC13H25FN2O2
Molecular Weight260.35 g/mol
Exact Mass260.19
IUPAC Nameethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide
SMILESCC.CC.CCC(=O)Nc1cc(C(C)(C)F)no1
InChIInChI=1S/C9H13FN2O2.2C2H6/c1-4-7(13)11-8-5-6(12-14-8)9(2,3)10;2*1-2/h5H,4H2,1-3H3,(H,11,13);2*1-2H3
InChIKeyRAJSJHDBWRZKCB-UHFFFAOYSA-N
XLogP4.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225
3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide
CID 176873409
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]acetamide
CID 89393055
2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide
CID 67953233
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 59420457
2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223074
3-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466444
(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid
CID 104875003
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 18088803
ethane;3-(2-fluoropropan-2-yl)-5-propan-2-yl-1,2-oxazole
CID 176669852
3-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66137390

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide?
The IUPAC name of ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide (CID 170582956) is ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide is CC.CC.CCC(=O)Nc1cc(C(C)(C)F)no1.
What is the InChIKey of ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide?
The InChIKey is RAJSJHDBWRZKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2.2C2H6/c1-4-7(13)11-8-5-6(12-14-8)9(2,3)10;2*1-2/h5H,4H2,1-3H3,(H,11,13);2*1-2H3.
What are the key properties of ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide?
ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide has a molecular weight of 260.35 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 170582956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).