5-(difluoromethyl)-4-methyl-1,3-oxazole

C5H5F2NO — CID 138661277

IUPAC5-(difluoromethyl)-4-methyl-1,3-oxazole
SMILESCc1ncoc1C(F)F
InChIInChI=1S/C5H5F2NO/c1-3-4(5(6)7)9-2-8-3/h2,5H,1H3
InChIKeySLQORNHNZIKYAF-UHFFFAOYSA-N
MW133.10 g/mol
LogP1.92
Rot. Bonds1

About 5-(difluoromethyl)-4-methyl-1,3-oxazole

5-(difluoromethyl)-4-methyl-1,3-oxazole (PubChem CID 138661277) has the molecular formula C5H5F2NO and a molecular weight of 133.10 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-methyl-1,3-oxazole
PubChem CID138661277
Molecular FormulaC5H5F2NO
Molecular Weight133.10 g/mol
Exact Mass133.03
IUPAC Name5-(difluoromethyl)-4-methyl-1,3-oxazole
SMILESCc1ncoc1C(F)F
InChIInChI=1S/C5H5F2NO/c1-3-4(5(6)7)9-2-8-3/h2,5H,1H3
InChIKeySLQORNHNZIKYAF-UHFFFAOYSA-N
XLogP1.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dimethyloxazole
CID 30214
4-Methyloxazole-5-carbonitrile
CID 70480
Oxazole, 4-(chloromethyl)-5-methyl-
CID 18982975
4-(Chloromethyl)-5-(trifluoromethyl)-1,3-oxazole
CID 126971910
4-(Chloromethyl)-5-(difluoromethyl)-1,3-oxazole
CID 137699011
(5-(Difluoromethyl)-1,3-oxazol-4-yl)methanesulfonyl chloride
CID 137945164
5-(Chloromethyl)-4-methyl-1,3-oxazole
CID 205485
5-Methyl-1,3-oxazole-4-carbonitrile
CID 67291675
4,5-Dimethyl-2-(trifluoromethyl)oxazole
CID 14639803
2,4-Dimethyl-5-trifluoromethyloxazole
CID 60019988
[5-(Trifluoromethyl)-1,3-oxazol-4-yl]methanamine hydrochloride
CID 137919901
5-(Chloromethyl)-4-methyl-1,3-oxazole hydrochloride
CID 57374638

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-methyl-1,3-oxazole?
The IUPAC name of 5-(difluoromethyl)-4-methyl-1,3-oxazole (CID 138661277) is 5-(difluoromethyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 5-(difluoromethyl)-4-methyl-1,3-oxazole is Cc1ncoc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-methyl-1,3-oxazole?
The InChIKey is SLQORNHNZIKYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO/c1-3-4(5(6)7)9-2-8-3/h2,5H,1H3.
What are the key properties of 5-(difluoromethyl)-4-methyl-1,3-oxazole?
5-(difluoromethyl)-4-methyl-1,3-oxazole has a molecular weight of 133.10 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 138661277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).