N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C21H21N3O3 — CID 9116003

IUPACN-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCN(C(=O)COc1ccc(-c2nnco2)cc1)[C@H]1CCCc2ccccc21
InChIInChI=1S/C21H21N3O3/c1-24(19-8-4-6-15-5-2-3-7-18(15)19)20(25)13-26-17-11-9-16(10-12-17)21-23-22-14-27-21/h2-3,5,7,9-12,14,19H,4,6,8,13H2,1H3/t19-/m0/s1
InChIKeyPQQFXBXLSVMJGW-IBGZPJMESA-N
MW363.42 g/mol
LogP3.65
Rot. Bonds5

About N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 9116003) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID9116003
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCN(C(=O)COc1ccc(-c2nnco2)cc1)[C@H]1CCCc2ccccc21
InChIInChI=1S/C21H21N3O3/c1-24(19-8-4-6-15-5-2-3-7-18(15)19)20(25)13-26-17-11-9-16(10-12-17)21-23-22-14-27-21/h2-3,5,7,9-12,14,19H,4,6,8,13H2,1H3/t19-/m0/s1
InChIKeyPQQFXBXLSVMJGW-IBGZPJMESA-N
XLogP3.65
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 46810970
2-(3-cyanophenoxy)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9457337
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646
[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 9456449
N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8888415
[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 9457603
2-[(4-methoxyphenoxy)methyl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazole-4-carboxamide
CID 45208937
2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9456069
[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8938551
[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8551310
[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 55364946
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 34804771

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 9116003) is N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CN(C(=O)COc1ccc(-c2nnco2)cc1)[C@H]1CCCc2ccccc21.
What is the InChIKey of N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is PQQFXBXLSVMJGW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21N3O3/c1-24(19-8-4-6-15-5-2-3-7-18(15)19)20(25)13-26-17-11-9-16(10-12-17)21-23-22-14-27-21/h2-3,5,7,9-12,14,19H,4,6,8,13H2,1H3/t19-/m0/s1.
What are the key properties of N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 9116003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).