6-chloro-2,5-dimethyl-1,3-benzoxazole;5-chloro-2-ethyl-6-methyl-1,3-benzoxazole

C19H18Cl2N2O2 — CID 142292517

IUPAC6-chloro-2,5-dimethyl-1,3-benzoxazole;5-chloro-2-ethyl-6-methyl-1,3-benzoxazole
SMILESCCc1nc2cc(Cl)c(C)cc2o1.Cc1nc2cc(C)c(Cl)cc2o1
InChIInChI=1S/C10H10ClNO.C9H8ClNO/c1-3-10-12-8-5-7(11)6(2)4-9(8)13-10;1-5-3-8-9(4-7(5)10)12-6(2)11-8/h4-5H,3H2,1-2H3;3-4H,1-2H3
InChIKeyKPZLFUOEOVSJDP-UHFFFAOYSA-N
MW377.27 g/mol
LogP6.45
Rot. Bonds1

About 6-chloro-2,5-dimethyl-1,3-benzoxazole;5-chloro-2-ethyl-6-methyl-1,3-benzoxazole

6-chloro-2,5-dimethyl-1,3-benzoxazole;5-chloro-2-ethyl-6-methyl-1,3-benzoxazole (PubChem CID 142292517) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-1,3-benzoxazole;5-chloro-2-ethyl-6-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-1,3-benzoxazole;5-chloro-2-ethyl-6-methyl-1,3-benzoxazole
PubChem CID142292517
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name6-chloro-2,5-dimethyl-1,3-benzoxazole;5-chloro-2-ethyl-6-methyl-1,3-benzoxazole
SMILESCCc1nc2cc(Cl)c(C)cc2o1.Cc1nc2cc(C)c(Cl)cc2o1
InChIInChI=1S/C10H10ClNO.C9H8ClNO/c1-3-10-12-8-5-7(11)6(2)4-9(8)13-10;1-5-3-8-9(4-7(5)10)12-6(2)11-8/h4-5H,3H2,1-2H3;3-4H,1-2H3
InChIKeyKPZLFUOEOVSJDP-UHFFFAOYSA-N
XLogP6.45
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethyl-1,3-benzoxazole;5-chloro-2-ethyl-6-methyl-1,3-benzoxazole?
The IUPAC name of 6-chloro-2,5-dimethyl-1,3-benzoxazole;5-chloro-2-ethyl-6-methyl-1,3-benzoxazole (CID 142292517) is 6-chloro-2,5-dimethyl-1,3-benzoxazole;5-chloro-2-ethyl-6-methyl-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2,5-dimethyl-1,3-benzoxazole;5-chloro-2-ethyl-6-methyl-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2,5-dimethyl-1,3-benzoxazole;5-chloro-2-ethyl-6-methyl-1,3-benzoxazole is CCc1nc2cc(Cl)c(C)cc2o1.Cc1nc2cc(C)c(Cl)cc2o1.
What is the InChIKey of 6-chloro-2,5-dimethyl-1,3-benzoxazole;5-chloro-2-ethyl-6-methyl-1,3-benzoxazole?
The InChIKey is KPZLFUOEOVSJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO.C9H8ClNO/c1-3-10-12-8-5-7(11)6(2)4-9(8)13-10;1-5-3-8-9(4-7(5)10)12-6(2)11-8/h4-5H,3H2,1-2H3;3-4H,1-2H3.
What are the key properties of 6-chloro-2,5-dimethyl-1,3-benzoxazole;5-chloro-2-ethyl-6-methyl-1,3-benzoxazole?
6-chloro-2,5-dimethyl-1,3-benzoxazole;5-chloro-2-ethyl-6-methyl-1,3-benzoxazole has a molecular weight of 377.27 g/mol, XLogP of 6.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-1,3-benzoxazole;5-chloro-2-ethyl-6-methyl-1,3-benzoxazole is sourced from PubChem (CID 142292517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).