(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C19H26N4O2 — CID 95162989

IUPAC(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCN(C)Cc1nc(C(C)(C)NC(=O)[C@H]2CCCc3ccccc32)no1
InChIInChI=1S/C19H26N4O2/c1-19(2,18-20-16(25-22-18)12-23(3)4)21-17(24)15-11-7-9-13-8-5-6-10-14(13)15/h5-6,8,10,15H,7,9,11-12H2,1-4H3,(H,21,24)/t15-/m0/s1
InChIKeyNYQZCVYGAVHOBP-HNNXBMFYSA-N
MW342.44 g/mol
LogP2.60
Rot. Bonds5

About (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 95162989) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID95162989
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCN(C)Cc1nc(C(C)(C)NC(=O)[C@H]2CCCc3ccccc32)no1
InChIInChI=1S/C19H26N4O2/c1-19(2,18-20-16(25-22-18)12-23(3)4)21-17(24)15-11-7-9-13-8-5-6-10-14(13)15/h5-6,8,10,15H,7,9,11-12H2,1-4H3,(H,21,24)/t15-/m0/s1
InChIKeyNYQZCVYGAVHOBP-HNNXBMFYSA-N
XLogP2.60
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 124594378
tert-butyl N-[2-[5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
CID 47077854
2-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoic acid
CID 79792733
3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide
CID 119860728
(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39983733
tert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
CID 47077840
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
(1S)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95317200
N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113492689
N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62719083
N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 95162989) is (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CN(C)Cc1nc(C(C)(C)NC(=O)[C@H]2CCCc3ccccc32)no1.
What is the InChIKey of (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is NYQZCVYGAVHOBP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,18-20-16(25-22-18)12-23(3)4)21-17(24)15-11-7-9-13-8-5-6-10-14(13)15/h5-6,8,10,15H,7,9,11-12H2,1-4H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 95162989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).