N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide

C17H19N3O5 — CID 78150669

IUPACN-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C3OCC(=O)N(C)C3CO)cc2)no1
InChIInChI=1S/C17H19N3O5/c1-10-7-13(19-25-10)17(23)18-12-5-3-11(4-6-12)16-14(8-21)20(2)15(22)9-24-16/h3-7,14,16,21H,8-9H2,1-2H3,(H,18,23)
InChIKeyAWMZJFVNXRUPRW-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.13
Rot. Bonds4

About N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 78150669) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID78150669
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC NameN-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C3OCC(=O)N(C)C3CO)cc2)no1
InChIInChI=1S/C17H19N3O5/c1-10-7-13(19-25-10)17(23)18-12-5-3-11(4-6-12)16-14(8-21)20(2)15(22)9-24-16/h3-7,14,16,21H,8-9H2,1-2H3,(H,18,23)
InChIKeyAWMZJFVNXRUPRW-UHFFFAOYSA-N
XLogP1.13
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-difluoro-N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]benzamide
CID 78150695
1-(4-fluorophenyl)-3-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]urea
CID 78150676
1-benzyl-3-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]urea
CID 78150664
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 71693534
N-[4-[3-(hydroxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholin-2-yl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 78150737
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide
CID 78150337
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 78150574
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropanamide
CID 71693319
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150317
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 78150669) is N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C3OCC(=O)N(C)C3CO)cc2)no1.
What is the InChIKey of N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is AWMZJFVNXRUPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-10-7-13(19-25-10)17(23)18-12-5-3-11(4-6-12)16-14(8-21)20(2)15(22)9-24-16/h3-7,14,16,21H,8-9H2,1-2H3,(H,18,23).
What are the key properties of N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 78150669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).