N-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C21H32N4O4 — CID 125177978

IUPACN-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)no1
InChIInChI=1S/C21H32N4O4/c1-14(2)19-10-18(23-29-19)21(27)22-11-17-12-25(20(26)13-28-17)16-6-8-24(9-7-16)15-4-3-5-15/h10,14-17H,3-9,11-13H2,1-2H3,(H,22,27)/t17-/m1/s1
InChIKeyXAXZUJBRDVJJAY-QGZVFWFLSA-N
MW404.51 g/mol
LogP1.77
Rot. Bonds6

About N-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 125177978) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID125177978
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC NameN-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)no1
InChIInChI=1S/C21H32N4O4/c1-14(2)19-10-18(23-29-19)21(27)22-11-17-12-25(20(26)13-28-17)16-6-8-24(9-7-16)15-4-3-5-15/h10,14-17H,3-9,11-13H2,1-2H3,(H,22,27)/t17-/m1/s1
InChIKeyXAXZUJBRDVJJAY-QGZVFWFLSA-N
XLogP1.77
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
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CID 119043051
N-[(3R)-1-cyclohexyl-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 124738558
N-[2-(4-methylmorpholin-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
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5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 70779896
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CID 70745244
1-cyclopentyl-4-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperazin-2-one
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N-[(1-phenylpiperidin-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70788463
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 50958581
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 72907233
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 125177978) is N-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)no1.
What is the InChIKey of N-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is XAXZUJBRDVJJAY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H32N4O4/c1-14(2)19-10-18(23-29-19)21(27)22-11-17-12-25(20(26)13-28-17)16-6-8-24(9-7-16)15-4-3-5-15/h10,14-17H,3-9,11-13H2,1-2H3,(H,22,27)/t17-/m1/s1.
What are the key properties of N-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-(1-cyclobutylpiperidin-4-yl)-5-oxomorpholin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 125177978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).