N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide

C19H34N4O4S — CID 126515535

IUPACN-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide
SMILESCN(C[C@H]1CCCN(S(C)=O)C1)C(C)(C)C(=O)Nc1cc(C(C)(C)CO)no1
InChIInChI=1S/C19H34N4O4S/c1-18(2,13-24)15-10-16(27-21-15)20-17(25)19(3,4)22(5)11-14-8-7-9-23(12-14)28(6)26/h10,14,24H,7-9,11-13H2,1-6H3,(H,20,25)/t14-,28?/m1/s1
InChIKeyJCLXXRRGOVSACN-JZNOQINNSA-N
MW414.57 g/mol
LogP1.60
Rot. Bonds8

About N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide

N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide (PubChem CID 126515535) has the molecular formula C19H34N4O4S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide.

Molecular Properties

Compound NameN-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide
PubChem CID126515535
Molecular FormulaC19H34N4O4S
Molecular Weight414.57 g/mol
Exact Mass414.23
IUPAC NameN-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide
SMILESCN(C[C@H]1CCCN(S(C)=O)C1)C(C)(C)C(=O)Nc1cc(C(C)(C)CO)no1
InChIInChI=1S/C19H34N4O4S/c1-18(2,13-24)15-10-16(27-21-15)20-17(25)19(3,4)22(5)11-14-8-7-9-23(12-14)28(6)26/h10,14,24H,7-9,11-13H2,1-6H3,(H,20,25)/t14-,28?/m1/s1
InChIKeyJCLXXRRGOVSACN-JZNOQINNSA-N
XLogP1.60
TPSA98.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
CID 70820826
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 45256132
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(piperidin-4-ylamino)propanamide
CID 91421480
2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 126515456
2-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)benzimidazol-5-yl]sulfonyl-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
CID 45110371
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide
CID 77477724
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide
CID 59703974
2-[cyclopropylmethyl(methylidene)-λ4-sulfanyl]-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
CID 89078441
2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide
CID 58297315
N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 59143333
2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 70820859
2-(azetidin-1-ylsulfanyl)-2-methylpropanal;2-methyl-2-[5-(methylamino)-1,2-oxazol-3-yl]propan-1-ol
CID 143964846

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide?
The IUPAC name of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide (CID 126515535) is N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide.
What is the SMILES notation for N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide?
The canonical SMILES for N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide is CN(C[C@H]1CCCN(S(C)=O)C1)C(C)(C)C(=O)Nc1cc(C(C)(C)CO)no1.
What is the InChIKey of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide?
The InChIKey is JCLXXRRGOVSACN-JZNOQINNSA-N. The full InChI is InChI=1S/C19H34N4O4S/c1-18(2,13-24)15-10-16(27-21-15)20-17(25)19(3,4)22(5)11-14-8-7-9-23(12-14)28(6)26/h10,14,24H,7-9,11-13H2,1-6H3,(H,20,25)/t14-,28?/m1/s1.
What are the key properties of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide?
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide has a molecular weight of 414.57 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide is sourced from PubChem (CID 126515535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).