5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide

C23H21N3O3 — CID 93068546

IUPAC5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1c(-c2nnc(C(=O)N[C@@H]3CCCc4ccccc43)o2)oc2c(C)cccc12
InChIInChI=1S/C23H21N3O3/c1-13-7-5-11-16-14(2)20(28-19(13)16)22-25-26-23(29-22)21(27)24-18-12-6-9-15-8-3-4-10-17(15)18/h3-5,7-8,10-11,18H,6,9,12H2,1-2H3,(H,24,27)/t18-/m1/s1
InChIKeyZGQTZSJFTHMIME-GOSISDBHSA-N
MW387.44 g/mol
LogP4.91
Rot. Bonds3

About 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide

5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 93068546) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID93068546
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1c(-c2nnc(C(=O)N[C@@H]3CCCc4ccccc43)o2)oc2c(C)cccc12
InChIInChI=1S/C23H21N3O3/c1-13-7-5-11-16-14(2)20(28-19(13)16)22-25-26-23(29-22)21(27)24-18-12-6-9-15-8-3-4-10-17(15)18/h3-5,7-8,10-11,18H,6,9,12H2,1-2H3,(H,24,27)/t18-/m1/s1
InChIKeyZGQTZSJFTHMIME-GOSISDBHSA-N
XLogP4.91
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 60682216
(2R)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7418156
N-(2,3-dihydro-1H-inden-1-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 24609298
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532
5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide
CID 53081317
5-amino-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 62304912
7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
CID 38016871
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
1-(2-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole-3-carboxamide
CID 42692709
3-(methoxymethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
CID 7688362
5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
CID 9344736

Frequently Asked Questions

What is the IUPAC name of 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide (CID 93068546) is 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide is Cc1c(-c2nnc(C(=O)N[C@@H]3CCCc4ccccc43)o2)oc2c(C)cccc12.
What is the InChIKey of 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ZGQTZSJFTHMIME-GOSISDBHSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-13-7-5-11-16-14(2)20(28-19(13)16)22-25-26-23(29-22)21(27)24-18-12-6-9-15-8-3-4-10-17(15)18/h3-5,7-8,10-11,18H,6,9,12H2,1-2H3,(H,24,27)/t18-/m1/s1.
What are the key properties of 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide?
5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 93068546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).