[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate

C14H13ClN2O3 — CID 78760443

IUPAC[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate
SMILESCC1CC1C(=O)OCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C14H13ClN2O3/c1-8-6-10(8)14(18)19-7-12-16-17-13(20-12)9-4-2-3-5-11(9)15/h2-5,8,10H,6-7H2,1H3
InChIKeyMEJLHCBCXJWGQU-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.09
Rot. Bonds4

About [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate

[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate (PubChem CID 78760443) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate
PubChem CID78760443
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate
SMILESCC1CC1C(=O)OCc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C14H13ClN2O3/c1-8-6-10(8)14(18)19-7-12-16-17-13(20-12)9-4-2-3-5-11(9)15/h2-5,8,10H,6-7H2,1H3
InChIKeyMEJLHCBCXJWGQU-UHFFFAOYSA-N
XLogP3.09
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate
CID 78761992
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-dimethylbutanoate
CID 78760319
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl hexanoate
CID 78759935
1-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]propan-1-one
CID 78801452
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78760380
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 9440946
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 78860670
ethyl 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1-carboxylate chloride
CID 53352461
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 41209311
4-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid
CID 55156555
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 55480931
methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670430

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate?
The IUPAC name of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate (CID 78760443) is [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate is CC1CC1C(=O)OCc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate?
The InChIKey is MEJLHCBCXJWGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-8-6-10(8)14(18)19-7-12-16-17-13(20-12)9-4-2-3-5-11(9)15/h2-5,8,10H,6-7H2,1H3.
What are the key properties of [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate?
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate has a molecular weight of 292.72 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 78760443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).