3-(4-chloro-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazol-2-one

C10H9ClN2O3 — CID 10562062

IUPAC3-(4-chloro-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazol-2-one
SMILESCOc1cc(Cl)ccc1-n1nc(C)oc1=O
InChIInChI=1S/C10H9ClN2O3/c1-6-12-13(10(14)16-6)8-4-3-7(11)5-9(8)15-2/h3-5H,1-2H3
InChIKeyKMLIGRGQNSCMIT-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.80
Rot. Bonds2

About 3-(4-chloro-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazol-2-one

3-(4-chloro-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazol-2-one (PubChem CID 10562062) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 3-(4-chloro-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-(4-chloro-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazol-2-one
PubChem CID10562062
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name3-(4-chloro-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazol-2-one
SMILESCOc1cc(Cl)ccc1-n1nc(C)oc1=O
InChIInChI=1S/C10H9ClN2O3/c1-6-12-13(10(14)16-6)8-4-3-7(11)5-9(8)15-2/h3-5H,1-2H3
InChIKeyKMLIGRGQNSCMIT-UHFFFAOYSA-N
XLogP1.80
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-2-fluorophenyl)-5-[4-(3,4-dimethoxyphenyl)butoxy]-1,3,4-oxadiazol-2-one
CID 172836087
3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82420543
1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbothioamide
CID 82420534
3-[[4-(4-chloro-2-methylphenyl)-5-oxo-1,3,4-oxadiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 155528128
3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one
CID 18779842
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
1-(2,4-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one
CID 82419272
2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride
CID 83742577
[1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 39365870
6-chloro-3-(2,4-dimethoxyphenyl)quinazolin-4-one
CID 127029117
2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82420509
2-chloro-8,9-dimethoxybenzo[c]chromen-6-one
CID 164686324

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-(4-chloro-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazol-2-one (CID 10562062) is 3-(4-chloro-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-(4-chloro-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-(4-chloro-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazol-2-one is COc1cc(Cl)ccc1-n1nc(C)oc1=O.
What is the InChIKey of 3-(4-chloro-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazol-2-one?
The InChIKey is KMLIGRGQNSCMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c1-6-12-13(10(14)16-6)8-4-3-7(11)5-9(8)15-2/h3-5H,1-2H3.
What are the key properties of 3-(4-chloro-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazol-2-one?
3-(4-chloro-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazol-2-one has a molecular weight of 240.65 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methoxyphenyl)-5-methyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 10562062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).