N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C18H21N3O5 — CID 99790807

IUPACN-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)C[C@H](CO)O1
InChIInChI=1S/C18H21N3O5/c1-12-9-21(10-14(11-22)25-12)17(23)8-19-18(24)15-7-16(26-20-15)13-5-3-2-4-6-13/h2-7,12,14,22H,8-11H2,1H3,(H,19,24)/t12-,14-/m1/s1
InChIKeyYRMTWHHOTFXFHP-TZMCWYRMSA-N
MW359.38 g/mol
LogP0.68
Rot. Bonds5

About N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 99790807) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID99790807
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC NameN-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)C[C@H](CO)O1
InChIInChI=1S/C18H21N3O5/c1-12-9-21(10-14(11-22)25-12)17(23)8-19-18(24)15-7-16(26-20-15)13-5-3-2-4-6-13/h2-7,12,14,22H,8-11H2,1H3,(H,19,24)/t12-,14-/m1/s1
InChIKeyYRMTWHHOTFXFHP-TZMCWYRMSA-N
XLogP0.68
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52514146
N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 102934265
N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120815735
N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86876644
N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 56572319
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120805537
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934747
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2-phenylacetamide
CID 51160848
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103232
N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86902989
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907101

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 99790807) is N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is C[C@@H]1CN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)C[C@H](CO)O1.
What is the InChIKey of N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is YRMTWHHOTFXFHP-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-12-9-21(10-14(11-22)25-12)17(23)8-19-18(24)15-7-16(26-20-15)13-5-3-2-4-6-13/h2-7,12,14,22H,8-11H2,1H3,(H,19,24)/t12-,14-/m1/s1.
What are the key properties of N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 99790807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).