formic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide

C18H22N4O6 — CID 163340485

IUPACformic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCc1nnc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)o1.O=CO
InChIInChI=1S/C17H20N4O4.CH2O2/c1-10-6-4-5-7-12(10)15-16(24-9-14(22)21(15)3)17(23)18-8-13-20-19-11(2)25-13;2-1-3/h4-7,15-16H,8-9H2,1-3H3,(H,18,23);1H,(H,2,3)/t15-,16+;/m1./s1
InChIKeyRKCYWNAKUUAHLG-RCPFAERMSA-N
MW390.40 g/mol
LogP0.60
Rot. Bonds4

About formic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide

formic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide (PubChem CID 163340485) has the molecular formula C18H22N4O6 and a molecular weight of 390.40 g/mol. Its IUPAC name is formic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Nameformic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
PubChem CID163340485
Molecular FormulaC18H22N4O6
Molecular Weight390.40 g/mol
Exact Mass390.15
IUPAC Nameformic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
SMILESCc1nnc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)o1.O=CO
InChIInChI=1S/C17H20N4O4.CH2O2/c1-10-6-4-5-7-12(10)15-16(24-9-14(22)21(15)3)17(23)18-8-13-20-19-11(2)25-13;2-1-3/h4-7,15-16H,8-9H2,1-3H3,(H,18,23);1H,(H,2,3)/t15-,16+;/m1./s1
InChIKeyRKCYWNAKUUAHLG-RCPFAERMSA-N
XLogP0.60
TPSA134.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of formic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of formic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide (CID 163340485) is formic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for formic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for formic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide is Cc1nnc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2C)o1.O=CO.
What is the InChIKey of formic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
The InChIKey is RKCYWNAKUUAHLG-RCPFAERMSA-N. The full InChI is InChI=1S/C17H20N4O4.CH2O2/c1-10-6-4-5-7-12(10)15-16(24-9-14(22)21(15)3)17(23)18-8-13-20-19-11(2)25-13;2-1-3/h4-7,15-16H,8-9H2,1-3H3,(H,18,23);1H,(H,2,3)/t15-,16+;/m1./s1.
What are the key properties of formic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide?
formic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(2S,3R)-4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 163340485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).