N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C22H23N3O5 — CID 7533132

IUPACN-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCOc1cc(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-27-17-11-16(12-18(28-2)19(17)29-3)21-24-25-22(30-21)23-20(26)15-9-8-13-6-4-5-7-14(13)10-15/h8-12H,4-7H2,1-3H3,(H,23,25,26)
InChIKeyKRLYZKZRMKYGBE-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.89
Rot. Bonds6

About N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 7533132) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID7533132
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCOc1cc(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)cc(OC)c1OC
InChIInChI=1S/C22H23N3O5/c1-27-17-11-16(12-18(28-2)19(17)29-3)21-24-25-22(30-21)23-20(26)15-9-8-13-6-4-5-7-14(13)10-15/h8-12H,4-7H2,1-3H3,(H,23,25,26)
InChIKeyKRLYZKZRMKYGBE-UHFFFAOYSA-N
XLogP3.89
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7533120
N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7295054
4-methylsulfanyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7266989
3-propan-2-ylsulfanyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41146715
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 43976692
4-ethylsulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7579515
3-[(4-fluorophenyl)sulfonylamino]-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 121041911
N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3292510
2-(benzenesulfonamido)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 121040677
4-cyano-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655668
4-(dibutylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3373954
3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655642

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 7533132) is N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is COc1cc(-c2nnc(NC(=O)c3ccc4c(c3)CCCC4)o2)cc(OC)c1OC.
What is the InChIKey of N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is KRLYZKZRMKYGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-27-17-11-16(12-18(28-2)19(17)29-3)21-24-25-22(30-21)23-20(26)15-9-8-13-6-4-5-7-14(13)10-15/h8-12H,4-7H2,1-3H3,(H,23,25,26).
What are the key properties of N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 7533132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).