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

C20H21ClN2O3 — CID 7866937

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate
SMILESO=C(OCc1nnc(-c2ccc(Cl)cc2)o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H21ClN2O3/c21-16-3-1-15(2-4-16)18-23-22-17(26-18)11-25-19(24)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2
InChIKeyPCOSYISVMYFHPH-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.65
Rot. Bonds4

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

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate (PubChem CID 7866937) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate
PubChem CID7866937
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate
SMILESO=C(OCc1nnc(-c2ccc(Cl)cc2)o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H21ClN2O3/c21-16-3-1-15(2-4-16)18-23-22-17(26-18)11-25-19(24)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2
InChIKeyPCOSYISVMYFHPH-UHFFFAOYSA-N
XLogP4.65
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 3-chloroadamantane-1-carboxylate
CID 154755442
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866171
[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate
CID 16543489
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014044
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-diphenylpropanoate
CID 16528018
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-chlorophenyl)sulfanylpropanoate
CID 9139620
(2,4-dichlorophenyl)methyl adamantane-1-carboxylate
CID 4285258
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
CID 7861717
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 55480931
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926274
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 46660082
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951211

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate (CID 7866937) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate is O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate?
The InChIKey is PCOSYISVMYFHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c21-16-3-1-15(2-4-16)18-23-22-17(26-18)11-25-19(24)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2.
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate has a molecular weight of 372.85 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate is sourced from PubChem (CID 7866937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).