(2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole

C13H9Cl2NO — CID 6929834

IUPAC(2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole
SMILESClc1ccc2c(c1)N[C@H](c1ccccc1Cl)O2
InChIInChI=1S/C13H9Cl2NO/c14-8-5-6-12-11(7-8)16-13(17-12)9-3-1-2-4-10(9)15/h1-7,13,16H/t13-/m0/s1
InChIKeyBYTYDYIKAJAFLX-ZDUSSCGKSA-N
MW266.13 g/mol
LogP4.50
Rot. Bonds1

About (2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole

(2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole (PubChem CID 6929834) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is (2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name(2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole
PubChem CID6929834
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC Name(2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole
SMILESClc1ccc2c(c1)N[C@H](c1ccccc1Cl)O2
InChIInChI=1S/C13H9Cl2NO/c14-8-5-6-12-11(7-8)16-13(17-12)9-3-1-2-4-10(9)15/h1-7,13,16H/t13-/m0/s1
InChIKeyBYTYDYIKAJAFLX-ZDUSSCGKSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine
CID 115825529
2-(1,3-benzodioxol-5-yl)-5-chloro-2,3-dihydro-1,3-benzoxazole
CID 2806671
(2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole
CID 6929817
4-(5-chloro-2,3-dihydro-1,3-benzoxazol-2-yl)benzonitrile
CID 2799099
3-chloro-4-[(2S)-2,3-dihydro-1,3-benzoxazol-2-yl]-N,N-dimethylaniline
CID 6929827
7-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81430931
5-chloro-2-(5-nitrothiophen-2-yl)-2,3-dihydro-1,3-benzoxazole
CID 2797171
(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945093
8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
CID 115825530
2-(2,3-dihydro-1-benzofuran-4-yl)-2,3-dihydro-1,3-benzoxazole
CID 166716951
(2R)-2-(2-chlorophenyl)-4,4-bis(4-methylphenyl)-1,2-dihydro-3,1-benzoxazine
CID 40830522
5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one
CID 170906604

Frequently Asked Questions

What is the IUPAC name of (2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole?
The IUPAC name of (2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole (CID 6929834) is (2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole.
What is the SMILES notation for (2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole?
The canonical SMILES for (2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole is Clc1ccc2c(c1)N[C@H](c1ccccc1Cl)O2.
What is the InChIKey of (2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole?
The InChIKey is BYTYDYIKAJAFLX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c14-8-5-6-12-11(7-8)16-13(17-12)9-3-1-2-4-10(9)15/h1-7,13,16H/t13-/m0/s1.
What are the key properties of (2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole?
(2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole has a molecular weight of 266.13 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole is sourced from PubChem (CID 6929834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).