5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole

C15H8Cl2N2O2 — CID 827452

IUPAC5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
SMILESClc1ccc2oc(Cc3nc4cc(Cl)ccc4o3)nc2c1
InChIInChI=1S/C15H8Cl2N2O2/c16-8-1-3-12-10(5-8)18-14(20-12)7-15-19-11-6-9(17)2-4-13(11)21-15/h1-6H,7H2
InChIKeyRBIZXZBBRDANQK-UHFFFAOYSA-N
MW319.15 g/mol
LogP4.87
Rot. Bonds2

About 5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole

5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole (PubChem CID 827452) has the molecular formula C15H8Cl2N2O2 and a molecular weight of 319.15 g/mol. Its IUPAC name is 5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
PubChem CID827452
Molecular FormulaC15H8Cl2N2O2
Molecular Weight319.15 g/mol
Exact Mass318.00
IUPAC Name5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
SMILESClc1ccc2oc(Cc3nc4cc(Cl)ccc4o3)nc2c1
InChIInChI=1S/C15H8Cl2N2O2/c16-8-1-3-12-10(5-8)18-14(20-12)7-15-19-11-6-9(17)2-4-13(11)21-15/h1-6H,7H2
InChIKeyRBIZXZBBRDANQK-UHFFFAOYSA-N
XLogP4.87
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-5-chloro-1,3-benzoxazole
CID 3726019
5-chloro-2-(cyclohexylmethyl)-1,3-benzoxazole
CID 10538608
4-(5-chloro-1,3-benzoxazol-2-yl)butanoic acid
CID 28930919
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
5-chloro-2-dec-9-enyl-1,3-benzoxazole
CID 25187211
5-tert-butyl-2-[(5-tert-butyl-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 23468006
6-chloro-2-(chloromethyl)-1,3-benzoxazole
CID 16767389
N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutanamide
CID 54857895
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]aniline
CID 81434208
5-ethoxy-2-[(5-ethoxy-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 23468058
2-bromo-1-(5-chloro-1,3-benzoxazol-2-yl)ethanone
CID 131191319
3-amino-6-chloro-1,4-benzoxazin-2-one
CID 15309009

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole (CID 827452) is 5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole is Clc1ccc2oc(Cc3nc4cc(Cl)ccc4o3)nc2c1.
What is the InChIKey of 5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole?
The InChIKey is RBIZXZBBRDANQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O2/c16-8-1-3-12-10(5-8)18-14(20-12)7-15-19-11-6-9(17)2-4-13(11)21-15/h1-6H,7H2.
What are the key properties of 5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole?
5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole has a molecular weight of 319.15 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole is sourced from PubChem (CID 827452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).