2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide

C22H23N3O3 — CID 19244658

IUPAC2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCCCOc1ccccc1C(=O)Nc1nonc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H23N3O3/c1-2-13-27-19-10-6-5-9-18(19)22(26)23-21-20(24-28-25-21)17-12-11-15-7-3-4-8-16(15)14-17/h5-6,9-12,14H,2-4,7-8,13H2,1H3,(H,23,25,26)
InChIKeyUSZFBYJWYFSPEO-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.66
Rot. Bonds6

About 2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide

2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide (PubChem CID 19244658) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
PubChem CID19244658
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCCCOc1ccccc1C(=O)Nc1nonc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H23N3O3/c1-2-13-27-19-10-6-5-9-18(19)22(26)23-21-20(24-28-25-21)17-12-11-15-7-3-4-8-16(15)14-17/h5-6,9-12,14H,2-4,7-8,13H2,1H3,(H,23,25,26)
InChIKeyUSZFBYJWYFSPEO-UHFFFAOYSA-N
XLogP4.66
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7646628
N-[4-(4-chlorophenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7677392
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]naphthalene-1-carboxamide
CID 19244629
2-butoxy-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 7709712
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
CID 7711063
benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)
CID 175653128
2-(3,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
CID 19244640
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide
CID 7710203
2-(3-chlorophenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
CID 19244662
5-bromo-3-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]-1-benzofuran-2-carboxamide
CID 19244845
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 27669306

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide?
The IUPAC name of 2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide (CID 19244658) is 2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide?
The canonical SMILES for 2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide is CCCOc1ccccc1C(=O)Nc1nonc1-c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide?
The InChIKey is USZFBYJWYFSPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-13-27-19-10-6-5-9-18(19)22(26)23-21-20(24-28-25-21)17-12-11-15-7-3-4-8-16(15)14-17/h5-6,9-12,14H,2-4,7-8,13H2,1H3,(H,23,25,26).
What are the key properties of 2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide?
2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 19244658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).