3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole

C11H10ClNO3 — CID 175903658

IUPAC3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole
SMILES[2H]c1cc(-c2cc(OC)c(OC)cc2Cl)no1
InChIInChI=1S/C11H10ClNO3/c1-14-10-5-7(9-3-4-16-13-9)8(12)6-11(10)15-2/h3-6H,1-2H3/i4D
InChIKeyTXVJNDFRXAQVDX-QYKNYGDISA-N
MW240.66 g/mol
LogP3.01
Rot. Bonds3

About 3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole

3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole (PubChem CID 175903658) has the molecular formula C11H10ClNO3 and a molecular weight of 240.66 g/mol. Its IUPAC name is 3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole
PubChem CID175903658
Molecular FormulaC11H10ClNO3
Molecular Weight240.66 g/mol
Exact Mass240.04
IUPAC Name3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole
SMILES[2H]c1cc(-c2cc(OC)c(OC)cc2Cl)no1
InChIInChI=1S/C11H10ClNO3/c1-14-10-5-7(9-3-4-16-13-9)8(12)6-11(10)15-2/h3-6H,1-2H3/i4D
InChIKeyTXVJNDFRXAQVDX-QYKNYGDISA-N
XLogP3.01
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chloro-4,5-dimethoxyphenyl)-4,8-dimethylquinolin-7-yl]methanol
CID 169410865
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole
CID 175418289
2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole
CID 175418287
1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene
CID 10381430
6-(2,5-dichloro-4-methoxyphenyl)pyrimidin-4-amine
CID 95473457
5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117349810
3,6-bis(4-chloro-2,5-dimethoxyphenyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 134097390
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
CID 177477117
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057
4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117387074

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole?
The IUPAC name of 3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole (CID 175903658) is 3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole.
What is the SMILES notation for 3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole?
The canonical SMILES for 3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole is [2H]c1cc(-c2cc(OC)c(OC)cc2Cl)no1.
What is the InChIKey of 3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole?
The InChIKey is TXVJNDFRXAQVDX-QYKNYGDISA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-14-10-5-7(9-3-4-16-13-9)8(12)6-11(10)15-2/h3-6H,1-2H3/i4D.
What are the key properties of 3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole?
3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole has a molecular weight of 240.66 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole is sourced from PubChem (CID 175903658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).