N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(piperidin-4-ylamino)propanamide

C16H28N4O3 — CID 91421480

IUPACN-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(piperidin-4-ylamino)propanamide
SMILESCC(C)(NC1CCNCC1)C(=O)Nc1cc(C(C)(C)CO)no1
InChIInChI=1S/C16H28N4O3/c1-15(2,10-21)12-9-13(23-20-12)18-14(22)16(3,4)19-11-5-7-17-8-6-11/h9,11,17,19,21H,5-8,10H2,1-4H3,(H,18,22)
InChIKeyXURGNPLQPHDOJU-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.00
Rot. Bonds6

About N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(piperidin-4-ylamino)propanamide

N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(piperidin-4-ylamino)propanamide (PubChem CID 91421480) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(piperidin-4-ylamino)propanamide.

Molecular Properties

Compound NameN-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(piperidin-4-ylamino)propanamide
PubChem CID91421480
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC NameN-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(piperidin-4-ylamino)propanamide
SMILESCC(C)(NC1CCNCC1)C(=O)Nc1cc(C(C)(C)CO)no1
InChIInChI=1S/C16H28N4O3/c1-15(2,10-21)12-9-13(23-20-12)18-14(22)16(3,4)19-11-5-7-17-8-6-11/h9,11,17,19,21H,5-8,10H2,1-4H3,(H,18,22)
InChIKeyXURGNPLQPHDOJU-UHFFFAOYSA-N
XLogP1.00
TPSA99.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 45256132
3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one
CID 58297223
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-[methyl-[[(3R)-1-methylsulfinylpiperidin-3-yl]methyl]amino]propanamide
CID 126515535
2-[cyclopropylmethyl(methylidene)-λ4-sulfanyl]-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
CID 89078441
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-(oxolan-2-ylmethylsulfinyl)propanamide
CID 71103757
3-(cyclopropylmethylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one
CID 58297196
2-[cyclohexyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide;1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methyl-3-[methyl(oxan-4-yl)amino]butan-2-one;N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide;1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methyl-3-[methyl(propan-2-yl)amino]butan-2-one;1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methyl-3-(oxan-4-ylamino)butan-2-one;N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-piperidin-1-ylpropanamide;N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylamino)propanamide
CID 161061839
(2S,4R)-1-(4-chlorophenyl)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 67953455
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225
CID 143964823
CID 143964823
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791

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-(piperidin-4-ylamino)propanamide?
The IUPAC name of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(piperidin-4-ylamino)propanamide (CID 91421480) is N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(piperidin-4-ylamino)propanamide.
What is the SMILES notation for N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(piperidin-4-ylamino)propanamide?
The canonical SMILES for N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(piperidin-4-ylamino)propanamide is CC(C)(NC1CCNCC1)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-(piperidin-4-ylamino)propanamide?
The InChIKey is XURGNPLQPHDOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-15(2,10-21)12-9-13(23-20-12)18-14(22)16(3,4)19-11-5-7-17-8-6-11/h9,11,17,19,21H,5-8,10H2,1-4H3,(H,18,22).
What are the key properties of N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(piperidin-4-ylamino)propanamide?
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(piperidin-4-ylamino)propanamide has a molecular weight of 324.43 g/mol, XLogP of 1.00, 6 rotatable bonds, 4 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-(piperidin-4-ylamino)propanamide is sourced from PubChem (CID 91421480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).