formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C22H29N3O7 — CID 166598781

IUPACformic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCO[C@H](CN2CCOCC2)[C@H]1O.O=CO
InChIInChI=1S/C21H27N3O5.CH2O2/c1-14-18(19(23-29-14)15-5-3-2-4-6-15)21(26)22-16-7-10-28-17(20(16)25)13-24-8-11-27-12-9-24;2-1-3/h2-6,16-17,20,25H,7-13H2,1H3,(H,22,26);1H,(H,2,3)/t16-,17+,20-;/m0./s1
InChIKeyXJZWUTOCTYFMHY-QYOIUNHHSA-N
MW447.49 g/mol
LogP0.93
Rot. Bonds5

About formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 166598781) has the molecular formula C22H29N3O7 and a molecular weight of 447.49 g/mol. Its IUPAC name is formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID166598781
Molecular FormulaC22H29N3O7
Molecular Weight447.49 g/mol
Exact Mass447.20
IUPAC Nameformic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCO[C@H](CN2CCOCC2)[C@H]1O.O=CO
InChIInChI=1S/C21H27N3O5.CH2O2/c1-14-18(19(23-29-14)15-5-3-2-4-6-15)21(26)22-16-7-10-28-17(20(16)25)13-24-8-11-27-12-9-24;2-1-3/h2-6,16-17,20,25H,7-13H2,1H3,(H,22,26);1H,(H,2,3)/t16-,17+,20-;/m0./s1
InChIKeyXJZWUTOCTYFMHY-QYOIUNHHSA-N
XLogP0.93
TPSA134.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138383979
5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 4799748
N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 165422998
5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide
CID 119427087
N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4794943
5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 45236703
3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805738
N-[(1R,2S,3R,4R)-4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]-2,3-dihydroxycyclopentyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 75529590
5-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60516330
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 45190473
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167771669
N-(3,4-dihydro-2H-chromen-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 119041092

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 166598781) is formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCO[C@H](CN2CCOCC2)[C@H]1O.O=CO.
What is the InChIKey of formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is XJZWUTOCTYFMHY-QYOIUNHHSA-N. The full InChI is InChI=1S/C21H27N3O5.CH2O2/c1-14-18(19(23-29-14)15-5-3-2-4-6-15)21(26)22-16-7-10-28-17(20(16)25)13-24-8-11-27-12-9-24;2-1-3/h2-6,16-17,20,25H,7-13H2,1H3,(H,22,26);1H,(H,2,3)/t16-,17+,20-;/m0./s1.
What are the key properties of formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166598781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).