N-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide

C19H23N3O6 — CID 162809360

IUPACN-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C[C@H]1O[C@H](CNC(=O)c2ccno2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H23N3O6/c1-22(11-12-5-3-2-4-6-12)16(23)9-14-17(24)18(25)15(27-14)10-20-19(26)13-7-8-21-28-13/h2-8,14-15,17-18,24-25H,9-11H2,1H3,(H,20,26)/t14-,15-,17-,18-/m1/s1
InChIKeyMZBMBPPNINCUDF-JOCBIADPSA-N
MW389.41 g/mol
LogP-0.06
Rot. Bonds7

About N-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide

N-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 162809360) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID162809360
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC NameN-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C[C@H]1O[C@H](CNC(=O)c2ccno2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H23N3O6/c1-22(11-12-5-3-2-4-6-12)16(23)9-14-17(24)18(25)15(27-14)10-20-19(26)13-7-8-21-28-13/h2-8,14-15,17-18,24-25H,9-11H2,1H3,(H,20,26)/t14-,15-,17-,18-/m1/s1
InChIKeyMZBMBPPNINCUDF-JOCBIADPSA-N
XLogP-0.06
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide
CID 25390203
N-benzyl-2-[(2R,3R,4S,5R)-5-[(cyclohexylcarbamoylamino)methyl]-3,4-dihydroxyoxolan-2-yl]-N-methylacetamide
CID 162808479
N-benzyl-2-[(2R,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-methylacetamide
CID 162805825
N-benzyl-2-[(2S,3R,4S,5S)-5-[[4-[[benzyl(methyl)amino]methyl]triazol-1-yl]methyl]-3,4-dihydroxyoxolan-2-yl]-N-methylacetamide
CID 162828848
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methyl-2-(oxan-2-yl)acetamide
CID 110409576
N-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]oxolan-2-yl]methyl]-4-(dimethylamino)benzamide
CID 162808102
N-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide
CID 58418442
N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide
CID 64928484
N-[[(1S,4S,6S)-4-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyrimidine-5-carboxamide
CID 38027188
N-benzyl-2-formamido-N-methylacetamide
CID 18618309
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide (CID 162809360) is N-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide is CN(Cc1ccccc1)C(=O)C[C@H]1O[C@H](CNC(=O)c2ccno2)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is MZBMBPPNINCUDF-JOCBIADPSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-22(11-12-5-3-2-4-6-12)16(23)9-14-17(24)18(25)15(27-14)10-20-19(26)13-7-8-21-28-13/h2-8,14-15,17-18,24-25H,9-11H2,1H3,(H,20,26)/t14-,15-,17-,18-/m1/s1.
What are the key properties of N-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 389.41 g/mol, XLogP of -0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4S,5R)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 162809360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).