5-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole

C10H10FNO — CID 138964377

IUPAC5-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESFCC1CN=C(c2ccccc2)O1
InChIInChI=1S/C10H10FNO/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyNGRIQEADSGRHOK-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.80
Rot. Bonds2

About 5-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole

5-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 138964377) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID138964377
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name5-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESFCC1CN=C(c2ccccc2)O1
InChIInChI=1S/C10H10FNO/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyNGRIQEADSGRHOK-UHFFFAOYSA-N
XLogP1.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
2-Phenyl-2-oxazoline
CID 244030
Azlactone
CID 65073
4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline
CID 254960
(4-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 226853
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929
Oxazole, 2,2'-(1,3-phenylene)bis[4,5-dihydro-
CID 604269
Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069
(4S)-2-(3-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756809

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole (CID 138964377) is 5-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole is FCC1CN=C(c2ccccc2)O1.
What is the InChIKey of 5-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is NGRIQEADSGRHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 5-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
5-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 179.19 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 138964377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).