N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide

C20H22N4O2S — CID 55621007

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
SMILESCc1cc(CSc2ccccc2C(=O)NCc2ccc(N(C)C)nc2)on1
InChIInChI=1S/C20H22N4O2S/c1-14-10-16(26-23-14)13-27-18-7-5-4-6-17(18)20(25)22-12-15-8-9-19(21-11-15)24(2)3/h4-11H,12-13H2,1-3H3,(H,22,25)
InChIKeyUSZWHNICJUEFTQ-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.67
Rot. Bonds7

About N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide (PubChem CID 55621007) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
PubChem CID55621007
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
SMILESCc1cc(CSc2ccccc2C(=O)NCc2ccc(N(C)C)nc2)on1
InChIInChI=1S/C20H22N4O2S/c1-14-10-16(26-23-14)13-27-18-7-5-4-6-17(18)20(25)22-12-15-8-9-19(21-11-15)24(2)3/h4-11H,12-13H2,1-3H3,(H,22,25)
InChIKeyUSZWHNICJUEFTQ-UHFFFAOYSA-N
XLogP3.67
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748589
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55867348
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55908201
N-(3,3-diphenylpropyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 134030247
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 86968387
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55745888
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 51246358
propan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate
CID 134037145
N-(1-hydroxypropan-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 110887316
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 51246767
N-(1-adamantylmethyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 134030361
N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 94630233

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide (CID 55621007) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide is Cc1cc(CSc2ccccc2C(=O)NCc2ccc(N(C)C)nc2)on1.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is USZWHNICJUEFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14-10-16(26-23-14)13-27-18-7-5-4-6-17(18)20(25)22-12-15-8-9-19(21-11-15)24(2)3/h4-11H,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 382.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55621007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).