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

C20H27N3O5 — CID 4801474

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C20H27N3O5/c1-5-26-17-12-16(23-7-9-25-10-8-23)18(27-6-2)11-15(17)21-20(24)19-13(3)22-28-14(19)4/h11-12H,5-10H2,1-4H3,(H,21,24)
InChIKeyVIWIPBPBSYEULQ-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.18
Rot. Bonds7

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

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 4801474) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID4801474
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C20H27N3O5/c1-5-26-17-12-16(23-7-9-25-10-8-23)18(27-6-2)11-15(17)21-20(24)19-13(3)22-28-14(19)4/h11-12H,5-10H2,1-4H3,(H,21,24)
InChIKeyVIWIPBPBSYEULQ-UHFFFAOYSA-N
XLogP3.18
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.18
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-Methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681597
N-(2,5-diethoxyphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 3237587
N-(2,5-diethoxyphenyl)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3238457
3-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 25163106
3,5-Dimethylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 2741374
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 25163236
Methanone, (3,5-dimethyl-4-isoxazolyl)[4-(2-ethoxyphenyl)-1-piperazinyl]-
CID 1247470
[2-(2,5-Diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4854269
3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 24791330
[2-Oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2480772
[2-(2,5-Dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2682099
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 3964286

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 4801474) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1c(C)noc1C.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is VIWIPBPBSYEULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-5-26-17-12-16(23-7-9-25-10-8-23)18(27-6-2)11-15(17)21-20(24)19-13(3)22-28-14(19)4/h11-12H,5-10H2,1-4H3,(H,21,24).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 3.18, 7 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)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4801474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).