3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one

C15H10F3NO2 — CID 2744505

IUPAC3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)11-7-5-10(6-8-11)9-19-12-3-1-2-4-13(12)21-14(19)20/h1-8H,9H2
InChIKeyAKDNRCALWKIADT-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.66
Rot. Bonds2

About 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one

3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one (PubChem CID 2744505) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one
PubChem CID2744505
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)11-7-5-10(6-8-11)9-19-12-3-1-2-4-13(12)21-14(19)20/h1-8H,9H2
InChIKeyAKDNRCALWKIADT-UHFFFAOYSA-N
XLogP3.66
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-benzyl-5-fluorobenzo[d]oxazol-2(3H)-one
CID 52942744
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
2(3H)-Benzoxazolone, 3-ethyl-
CID 35453

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one (CID 2744505) is 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one?
The InChIKey is AKDNRCALWKIADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-15(17,18)11-7-5-10(6-8-11)9-19-12-3-1-2-4-13(12)21-14(19)20/h1-8H,9H2.
What are the key properties of 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one?
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one has a molecular weight of 293.24 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 2744505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).