N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide

C20H33N3O4 — CID 75367029

IUPACN-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@H]1O[C@H](Cc2cc(CN3CCCCC3)on2)CC[C@@H]1O
InChIInChI=1S/C20H33N3O4/c1-14(2)20(25)21-12-19-18(24)7-6-16(26-19)10-15-11-17(27-22-15)13-23-8-4-3-5-9-23/h11,14,16,18-19,24H,3-10,12-13H2,1-2H3,(H,21,25)/t16-,18-,19+/m0/s1
InChIKeySWNHJWHCCBYQEJ-YTQUADARSA-N
MW379.50 g/mol
LogP1.88
Rot. Bonds7

About N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide

N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide (PubChem CID 75367029) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide
PubChem CID75367029
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC NameN-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@H]1O[C@H](Cc2cc(CN3CCCCC3)on2)CC[C@@H]1O
InChIInChI=1S/C20H33N3O4/c1-14(2)20(25)21-12-19-18(24)7-6-16(26-19)10-15-11-17(27-22-15)13-23-8-4-3-5-9-23/h11,14,16,18-19,24H,3-10,12-13H2,1-2H3,(H,21,25)/t16-,18-,19+/m0/s1
InChIKeySWNHJWHCCBYQEJ-YTQUADARSA-N
XLogP1.88
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide (CID 75367029) is N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NC[C@H]1O[C@H](Cc2cc(CN3CCCCC3)on2)CC[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide?
The InChIKey is SWNHJWHCCBYQEJ-YTQUADARSA-N. The full InChI is InChI=1S/C20H33N3O4/c1-14(2)20(25)21-12-19-18(24)7-6-16(26-19)10-15-11-17(27-22-15)13-23-8-4-3-5-9-23/h11,14,16,18-19,24H,3-10,12-13H2,1-2H3,(H,21,25)/t16-,18-,19+/m0/s1.
What are the key properties of N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide?
N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide has a molecular weight of 379.50 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 75367029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).