2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole

C19H17Cl2NO3 — CID 9039150

IUPAC2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole
SMILESCOc1cc(/C=C(\Cl)c2nc3ccccc3o2)cc(Cl)c1OC(C)C
InChIInChI=1S/C19H17Cl2NO3/c1-11(2)24-18-13(20)8-12(10-17(18)23-3)9-14(21)19-22-15-6-4-5-7-16(15)25-19/h4-11H,1-3H3/b14-9-
InChIKeySEVOZJJLHAKJGJ-ZROIWOOFSA-N
MW378.26 g/mol
LogP6.01
Rot. Bonds5

About 2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole

2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole (PubChem CID 9039150) has the molecular formula C19H17Cl2NO3 and a molecular weight of 378.26 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole
PubChem CID9039150
Molecular FormulaC19H17Cl2NO3
Molecular Weight378.26 g/mol
Exact Mass377.06
IUPAC Name2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole
SMILESCOc1cc(/C=C(\Cl)c2nc3ccccc3o2)cc(Cl)c1OC(C)C
InChIInChI=1S/C19H17Cl2NO3/c1-11(2)24-18-13(20)8-12(10-17(18)23-3)9-14(21)19-22-15-6-4-5-7-16(15)25-19/h4-11H,1-3H3/b14-9-
InChIKeySEVOZJJLHAKJGJ-ZROIWOOFSA-N
XLogP6.01
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.26
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(1,3-benzoxazol-2-yl)-4-(3-chloro-5-methoxy-4-propoxyphenyl)but-3-enoate
CID 9038464
2-[(Z)-1-chloro-2-(3-chloro-4-hydroxy-5-methoxyphenyl)ethenyl]-3,1-benzoxazin-4-one
CID 135574152
[4-[(E)-2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]-2-chloro-6-methoxyphenyl] 4-methylbenzenesulfonate
CID 126082416
(E)-2-(1,3-benzoxazol-2-yl)-3-[3,5-dichloro-4-(2-methylpropoxy)phenyl]prop-2-enenitrile
CID 126049021
2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole
CID 9038895
(E)-3-(1,3-benzothiazol-2-yl)-4-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)but-3-enoate
CID 8862877
N-[(Z)-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5433423
2-(5-chloro-1-benzofuran-2-yl)-3-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]quinazolin-4-one
CID 126297810
2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole
CID 8814994
4-[(E)-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-1-cyanoethenyl]benzoate
CID 7368582
2-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]-1,3-benzoxazole
CID 9038906
2-[(Z)-2-(3-bromophenyl)-1-chloroethenyl]-1,3-benzoxazole
CID 9038876

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole (CID 9039150) is 2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole is COc1cc(/C=C(\Cl)c2nc3ccccc3o2)cc(Cl)c1OC(C)C.
What is the InChIKey of 2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole?
The InChIKey is SEVOZJJLHAKJGJ-ZROIWOOFSA-N. The full InChI is InChI=1S/C19H17Cl2NO3/c1-11(2)24-18-13(20)8-12(10-17(18)23-3)9-14(21)19-22-15-6-4-5-7-16(15)25-19/h4-11H,1-3H3/b14-9-.
What are the key properties of 2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole?
2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole has a molecular weight of 378.26 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 9039150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).