N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C25H29N3O5 — CID 3964286

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C25H29N3O5/c1-4-31-21-16-20(28-11-13-30-14-12-28)22(32-5-2)15-19(21)26-25(29)23-17(3)33-27-24(23)18-9-7-6-8-10-18/h6-10,15-16H,4-5,11-14H2,1-3H3,(H,26,29)
InChIKeyBTSXOYSJJGWSFT-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.54
Rot. Bonds8

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 3964286) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID3964286
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C25H29N3O5/c1-4-31-21-16-20(28-11-13-30-14-12-28)22(32-5-2)15-19(21)26-25(29)23-17(3)33-27-24(23)18-9-7-6-8-10-18/h6-10,15-16H,4-5,11-14H2,1-3H3,(H,26,29)
InChIKeyBTSXOYSJJGWSFT-UHFFFAOYSA-N
XLogP4.54
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
5-methyl-3-phenyl-N-(2-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2197808
5-methyl-3-phenyl-N-(3-propoxyphenyl)-4-isoxazolecarboxamide
CID 2260458
[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 1011145
3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129476
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide
CID 1326689
N-(2,5-dimethoxyphenyl)-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide
CID 3243514
N-(4-isopropoxyphenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 975586
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)-2-methoxyphenyl]-5-methylisoxazole-4-carboxamide
CID 11568561
[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 25163087
Methyl 5-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}-2-morpholinobenzoate
CID 2810081
N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3-methoxybenzamide
CID 4568767

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 3964286) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is BTSXOYSJJGWSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-4-31-21-16-20(28-11-13-30-14-12-28)22(32-5-2)15-19(21)26-25(29)23-17(3)33-27-24(23)18-9-7-6-8-10-18/h6-10,15-16H,4-5,11-14H2,1-3H3,(H,26,29).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3964286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).