2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole

C13H8ClNOS — CID 9038828

IUPAC2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole
SMILESCl/C(=C\c1cccs1)c1nc2ccccc2o1
InChIInChI=1S/C13H8ClNOS/c14-10(8-9-4-3-7-17-9)13-15-11-5-1-2-6-12(11)16-13/h1-8H/b10-8-
InChIKeyNPTSUQQOFMLWLO-NTMALXAHSA-N
MW261.73 g/mol
LogP4.63
Rot. Bonds2

About 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole

2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole (PubChem CID 9038828) has the molecular formula C13H8ClNOS and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole
PubChem CID9038828
Molecular FormulaC13H8ClNOS
Molecular Weight261.73 g/mol
Exact Mass261.00
IUPAC Name2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole
SMILESCl/C(=C\c1cccs1)c1nc2ccccc2o1
InChIInChI=1S/C13H8ClNOS/c14-10(8-9-4-3-7-17-9)13-15-11-5-1-2-6-12(11)16-13/h1-8H/b10-8-
InChIKeyNPTSUQQOFMLWLO-NTMALXAHSA-N
XLogP4.63
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(1,3-benzoxazol-2-yl)-4-thiophen-2-ylbut-3-enoic acid
CID 7802637
2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole
CID 9038895
2-(1,3-benzoxazol-2-yl)-1-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 3255472
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
5-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037450
2,2-bis(1,3-benzoxazol-2-yl)ethenol
CID 135451442
2-[4-[(Z)-2-(1,3-benzoxazol-2-yl)-2-chloroethenyl]phenoxy]acetate
CID 9039035
2-[1-chloro-2-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)ethenyl]-1,3-benzoxazole
CID 127265013
3-[(Z)-2-hydroxy-2-thiophen-2-ylethenyl]-1,4-benzoxazin-2-one
CID 135408470
2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 9031343
(Z)-2-(1,3-benzoxazol-2-yl)-3-hydroxyprop-2-enal
CID 2735197

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole (CID 9038828) is 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole is Cl/C(=C\c1cccs1)c1nc2ccccc2o1.
What is the InChIKey of 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole?
The InChIKey is NPTSUQQOFMLWLO-NTMALXAHSA-N. The full InChI is InChI=1S/C13H8ClNOS/c14-10(8-9-4-3-7-17-9)13-15-11-5-1-2-6-12(11)16-13/h1-8H/b10-8-.
What are the key properties of 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole?
2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole has a molecular weight of 261.73 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole is sourced from PubChem (CID 9038828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).