[5-chloro-2-(4-chlorophenyl)-2H-1,3-benzoxazol-3-yl]-phenylmethanone

C20H13Cl2NO2 — CID 2806676

IUPAC[5-chloro-2-(4-chlorophenyl)-2H-1,3-benzoxazol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1c2cc(Cl)ccc2OC1c1ccc(Cl)cc1
InChIInChI=1S/C20H13Cl2NO2/c21-15-8-6-14(7-9-15)20-23(19(24)13-4-2-1-3-5-13)17-12-16(22)10-11-18(17)25-20/h1-12,20H
InChIKeyUIFOMOHRVWVIFQ-UHFFFAOYSA-N
MW370.24 g/mol
LogP5.73
Rot. Bonds2

About [5-chloro-2-(4-chlorophenyl)-2H-1,3-benzoxazol-3-yl]-phenylmethanone

[5-chloro-2-(4-chlorophenyl)-2H-1,3-benzoxazol-3-yl]-phenylmethanone (PubChem CID 2806676) has the molecular formula C20H13Cl2NO2 and a molecular weight of 370.24 g/mol. Its IUPAC name is [5-chloro-2-(4-chlorophenyl)-2H-1,3-benzoxazol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-chloro-2-(4-chlorophenyl)-2H-1,3-benzoxazol-3-yl]-phenylmethanone
PubChem CID2806676
Molecular FormulaC20H13Cl2NO2
Molecular Weight370.24 g/mol
Exact Mass369.03
IUPAC Name[5-chloro-2-(4-chlorophenyl)-2H-1,3-benzoxazol-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1c2cc(Cl)ccc2OC1c1ccc(Cl)cc1
InChIInChI=1S/C20H13Cl2NO2/c21-15-8-6-14(7-9-15)20-23(19(24)13-4-2-1-3-5-13)17-12-16(22)10-11-18(17)25-20/h1-12,20H
InChIKeyUIFOMOHRVWVIFQ-UHFFFAOYSA-N
XLogP5.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.24
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-benzoyl-2-(3-chlorophenyl)-2H-3,1-benzoxazin-4-one
CID 1049886
[(9S,14aS)-9-(4-chlorophenyl)-5,6,9,14a-tetrahydroisoquinolino[1,2-b][1,3,4]benzoxadiazepin-8-yl]-phenylmethanone
CID 139193177
N-[(2S,4R)-1-benzoyl-7-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69428809
1-[2-acetyl-1-benzoyl-3-(4-chlorophenyl)aziridin-2-yl]ethanone
CID 102169468
3-(6-chloro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl)propanoic acid
CID 24738904
3-benzyl-6-chloro-2-phenyl-2H-1,3-benzoxazin-4-one
CID 177490374
2-[(2S)-6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 7080943
4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 59367840
N-[[6-chloro-4-(2-chloroacetyl)-2-phenyl-2,3-dihydro-1,4-benzoxazin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 22752462
3-chloro-6-propyl-6H-benzo[b][1,4]benzoxazepine-5-carboxylic acid
CID 19018526
N-[(2R,4S)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 40721140
N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 40721142

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(4-chlorophenyl)-2H-1,3-benzoxazol-3-yl]-phenylmethanone?
The IUPAC name of [5-chloro-2-(4-chlorophenyl)-2H-1,3-benzoxazol-3-yl]-phenylmethanone (CID 2806676) is [5-chloro-2-(4-chlorophenyl)-2H-1,3-benzoxazol-3-yl]-phenylmethanone.
What is the SMILES notation for [5-chloro-2-(4-chlorophenyl)-2H-1,3-benzoxazol-3-yl]-phenylmethanone?
The canonical SMILES for [5-chloro-2-(4-chlorophenyl)-2H-1,3-benzoxazol-3-yl]-phenylmethanone is O=C(c1ccccc1)N1c2cc(Cl)ccc2OC1c1ccc(Cl)cc1.
What is the InChIKey of [5-chloro-2-(4-chlorophenyl)-2H-1,3-benzoxazol-3-yl]-phenylmethanone?
The InChIKey is UIFOMOHRVWVIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NO2/c21-15-8-6-14(7-9-15)20-23(19(24)13-4-2-1-3-5-13)17-12-16(22)10-11-18(17)25-20/h1-12,20H.
What are the key properties of [5-chloro-2-(4-chlorophenyl)-2H-1,3-benzoxazol-3-yl]-phenylmethanone?
[5-chloro-2-(4-chlorophenyl)-2H-1,3-benzoxazol-3-yl]-phenylmethanone has a molecular weight of 370.24 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(4-chlorophenyl)-2H-1,3-benzoxazol-3-yl]-phenylmethanone is sourced from PubChem (CID 2806676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).