formic acid;(2S,3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide

C19H24N4O6 — CID 163341197

IUPACformic acid;(2S,3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
SMILESCc1nnc(CNC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)o1.O=CO
InChIInChI=1S/C18H22N4O4.CH2O2/c1-11(2)22-15(23)10-25-17(16(22)13-7-5-4-6-8-13)18(24)19-9-14-21-20-12(3)26-14;2-1-3/h4-8,11,16-17H,9-10H2,1-3H3,(H,19,24);1H,(H,2,3)/t16-,17+;/m1./s1
InChIKeyJVNDLNSMIALZFH-PPPUBMIESA-N
MW404.42 g/mol
LogP1.07
Rot. Bonds5

About formic acid;(2S,3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide

formic acid;(2S,3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide (PubChem CID 163341197) has the molecular formula C19H24N4O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is formic acid;(2S,3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Nameformic acid;(2S,3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
PubChem CID163341197
Molecular FormulaC19H24N4O6
Molecular Weight404.42 g/mol
Exact Mass404.17
IUPAC Nameformic acid;(2S,3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
SMILESCc1nnc(CNC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)o1.O=CO
InChIInChI=1S/C18H22N4O4.CH2O2/c1-11(2)22-15(23)10-25-17(16(22)13-7-5-4-6-8-13)18(24)19-9-14-21-20-12(3)26-14;2-1-3/h4-8,11,16-17H,9-10H2,1-3H3,(H,19,24);1H,(H,2,3)/t16-,17+;/m1./s1
InChIKeyJVNDLNSMIALZFH-PPPUBMIESA-N
XLogP1.07
TPSA134.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;(2S,3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The IUPAC name of formic acid;(2S,3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide (CID 163341197) is formic acid;(2S,3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide.
What is the SMILES notation for formic acid;(2S,3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The canonical SMILES for formic acid;(2S,3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide is Cc1nnc(CNC(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccccc2)o1.O=CO.
What is the InChIKey of formic acid;(2S,3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
The InChIKey is JVNDLNSMIALZFH-PPPUBMIESA-N. The full InChI is InChI=1S/C18H22N4O4.CH2O2/c1-11(2)22-15(23)10-25-17(16(22)13-7-5-4-6-8-13)18(24)19-9-14-21-20-12(3)26-14;2-1-3/h4-8,11,16-17H,9-10H2,1-3H3,(H,19,24);1H,(H,2,3)/t16-,17+;/m1./s1.
What are the key properties of formic acid;(2S,3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide?
formic acid;(2S,3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(2S,3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide is sourced from PubChem (CID 163341197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).