5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one

C10H8FNO2 — CID 105446696

IUPAC5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one
SMILESCc1[nH]c(=O)oc1-c1cccc(F)c1
InChIInChI=1S/C10H8FNO2/c1-6-9(14-10(13)12-6)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,13)
InChIKeyAOAQOUULCUJJDQ-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.08
Rot. Bonds1

About 5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one

5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one (PubChem CID 105446696) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one
PubChem CID105446696
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one
SMILESCc1[nH]c(=O)oc1-c1cccc(F)c1
InChIInChI=1S/C10H8FNO2/c1-6-9(14-10(13)12-6)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,13)
InChIKeyAOAQOUULCUJJDQ-UHFFFAOYSA-N
XLogP2.08
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Diphenyl-4-oxazolin-2-one
CID 151245
4-Oxazolin-2-one, 4-(p-fluorophenyl)-
CID 118670
Benzyl acetylcarbamate
CID 12066024
benzyl N-[(2S)-1-fluoropropan-2-yl]carbamate
CID 165940654
4-tert-butylperoxy-5-(4-fluorophenyl)-3H-1,3-oxazol-2-one
CID 178251858
2(3H)-Oxazolone, 3,4-dimethyl-5-phenyl-
CID 12307004
benzyl N-tert-butylcarbamate
CID 10443010
2(3H)-Oxazolone, 4-methyl-5-phenyl-
CID 12306999
1-(Benzyloxycarbonylamino)cyclohexadiene
CID 23630437
benzyl N-[(Z)-pent-2-en-3-yl]carbamate
CID 58839421
benzyl N-[(E)-pent-2-en-3-yl]carbamate
CID 135079600
(4-fluorophenyl)methyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
CID 46499458

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one?
The IUPAC name of 5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one (CID 105446696) is 5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one is Cc1[nH]c(=O)oc1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one?
The InChIKey is AOAQOUULCUJJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-6-9(14-10(13)12-6)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,13).
What are the key properties of 5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one?
5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one has a molecular weight of 193.18 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-methyl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 105446696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).