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

C7H8F3NO — CID 90397392

IUPAC4-methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole
SMILESCc1ncoc1CCC(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-5-6(12-4-11-5)2-3-7(8,9)10/h4H,2-3H2,1H3
InChIKeyPCQHZPIVCUKSAJ-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.48
Rot. Bonds2

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

4-methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole (PubChem CID 90397392) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 4-methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole
PubChem CID90397392
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name4-methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole
SMILESCc1ncoc1CCC(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-5-6(12-4-11-5)2-3-7(8,9)10/h4H,2-3H2,1H3
InChIKeyPCQHZPIVCUKSAJ-UHFFFAOYSA-N
XLogP2.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-4-methyloxazole
CID 207286
Cyclododecoxazole, 4,5,6,7,8,9,10,11,12,13-decahydro-
CID 162297
Oxazole, 5-isobutyl-4-methyl-
CID 207289
Oxazole, 4-methyl-5-propyl-
CID 214134
4-Ethyl-5-pentyloxazole
CID 54303054
4,5,6,7-Tetrahydro-1,3-benzoxazole
CID 304264
Oxazole, 4-ethyl-5-methyl
CID 529031
4-n-Butyl-5-methyloxazole
CID 15176127
4,5-Dipropyloxazole
CID 19964978
4,5-Dibutyloxazole
CID 129727663
4-Propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 57698712
5-Propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 139342279

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole?
The IUPAC name of 4-methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole (CID 90397392) is 4-methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole.
What is the SMILES notation for 4-methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole?
The canonical SMILES for 4-methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole is Cc1ncoc1CCC(F)(F)F.
What is the InChIKey of 4-methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole?
The InChIKey is PCQHZPIVCUKSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-5-6(12-4-11-5)2-3-7(8,9)10/h4H,2-3H2,1H3.
What are the key properties of 4-methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole?
4-methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole has a molecular weight of 179.14 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3,3,3-trifluoropropyl)-1,3-oxazole is sourced from PubChem (CID 90397392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).