3-benzyl-5-fluoro-1,3-benzoxazol-2-one

C14H10FNO2 — CID 52942744

IUPAC3-benzyl-5-fluoro-1,3-benzoxazol-2-one
SMILESO=c1oc2ccc(F)cc2n1Cc1ccccc1
InChIInChI=1S/C14H10FNO2/c15-11-6-7-13-12(8-11)16(14(17)18-13)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyYYEOCYSVLLWJQE-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.78
Rot. Bonds2

About 3-benzyl-5-fluoro-1,3-benzoxazol-2-one

3-benzyl-5-fluoro-1,3-benzoxazol-2-one (PubChem CID 52942744) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 3-benzyl-5-fluoro-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-benzyl-5-fluoro-1,3-benzoxazol-2-one
PubChem CID52942744
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name3-benzyl-5-fluoro-1,3-benzoxazol-2-one
SMILESO=c1oc2ccc(F)cc2n1Cc1ccccc1
InChIInChI=1S/C14H10FNO2/c15-11-6-7-13-12(8-11)16(14(17)18-13)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyYYEOCYSVLLWJQE-UHFFFAOYSA-N
XLogP2.78
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

LR 511
CID 68696
3-Benzyl-5-methyl-3H-benzooxazol-2-one
CID 1087842
3-(2-Oxopropyl)-2(3H)-benzoxazolone
CID 2744628
2-Benzoxazolinone, 3-methyl-
CID 30846
3-[1-(4-Ethoxy-1-methylcyclohexyl)piperidin-4-yl]-6-fluoro-5-methyl-1,3-benzoxazol-2-one
CID 42598358
3-(4-ethoxybenzyl)-1,3-benzoxazol-2(3H)-one
CID 2989877
3-(2-Methoxy-benzyl)-5-methyl-3H-benzooxazol-2-one
CID 851211
(5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl ester
CID 2056744
3-[(3-Methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 2086421
3-[(3-Fluorophenyl)methyl]-1,3-benzoxazol-2-one
CID 8071109
3-[2-(4-Phenylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 59630039
2-Benzoxazolinone, 3-allyl-
CID 25999

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-fluoro-1,3-benzoxazol-2-one?
The IUPAC name of 3-benzyl-5-fluoro-1,3-benzoxazol-2-one (CID 52942744) is 3-benzyl-5-fluoro-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-benzyl-5-fluoro-1,3-benzoxazol-2-one?
The canonical SMILES for 3-benzyl-5-fluoro-1,3-benzoxazol-2-one is O=c1oc2ccc(F)cc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-fluoro-1,3-benzoxazol-2-one?
The InChIKey is YYEOCYSVLLWJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c15-11-6-7-13-12(8-11)16(14(17)18-13)9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 3-benzyl-5-fluoro-1,3-benzoxazol-2-one?
3-benzyl-5-fluoro-1,3-benzoxazol-2-one has a molecular weight of 243.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-fluoro-1,3-benzoxazol-2-one is sourced from PubChem (CID 52942744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).