4-(fluoromethyl)-5-propan-2-yl-1,3-oxazole

C7H10FNO — CID 169163575

IUPAC4-(fluoromethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1CF
InChIInChI=1S/C7H10FNO/c1-5(2)7-6(3-8)9-4-10-7/h4-5H,3H2,1-2H3
InChIKeyDGBGNMIIIJRBOP-UHFFFAOYSA-N
MW143.16 g/mol
LogP2.27
Rot. Bonds2

About 4-(fluoromethyl)-5-propan-2-yl-1,3-oxazole

4-(fluoromethyl)-5-propan-2-yl-1,3-oxazole (PubChem CID 169163575) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(fluoromethyl)-5-propan-2-yl-1,3-oxazole
PubChem CID169163575
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name4-(fluoromethyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ocnc1CF
InChIInChI=1S/C7H10FNO/c1-5(2)7-6(3-8)9-4-10-7/h4-5H,3H2,1-2H3
InChIKeyDGBGNMIIIJRBOP-UHFFFAOYSA-N
XLogP2.27
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-4-methyloxazole
CID 207286
Oxazole, 5-(2-chloroethyl)-4-methyl-
CID 120387
Oxazole, 5-isobutyl-4-methyl-
CID 207289
Oxazole, 4-methyl-5-propyl-
CID 214134
Oxazole, 4-ethyl-5-methyl
CID 529031
(5-Tert-butyl-1,3-oxazol-4-yl)methanesulfonyl fluoride
CID 145913438
5-Ethyl-1,3-oxazole-4-carbonitrile
CID 170910241
Oxazole, 5-acetoxime-4-methyl-
CID 74051013
4-(Chloromethyl)-5-(propan-2-yl)-1,3-oxazole
CID 71683235
Oxazole, 5-(2-chloroethyl)-4-(trifluoromethyl)-
CID 20557837
4-Propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 57698712
2,5-Di(propan-2-yl)-4-(trifluoromethyl)-1,3-oxazole
CID 58428484

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(fluoromethyl)-5-propan-2-yl-1,3-oxazole (CID 169163575) is 4-(fluoromethyl)-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(fluoromethyl)-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(fluoromethyl)-5-propan-2-yl-1,3-oxazole is CC(C)c1ocnc1CF.
What is the InChIKey of 4-(fluoromethyl)-5-propan-2-yl-1,3-oxazole?
The InChIKey is DGBGNMIIIJRBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-5(2)7-6(3-8)9-4-10-7/h4-5H,3H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-5-propan-2-yl-1,3-oxazole?
4-(fluoromethyl)-5-propan-2-yl-1,3-oxazole has a molecular weight of 143.16 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 169163575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).