2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide

C24H35N5O6 — CID 143796966

IUPAC2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCOCCCNC(=O)c1cc(CN2CCOCC2)ccc1NC(=O)c1coc(N(C)CCOC)n1
InChIInChI=1S/C24H35N5O6/c1-28(8-12-33-3)24-27-21(17-35-24)23(31)26-20-6-5-18(16-29-9-13-34-14-10-29)15-19(20)22(30)25-7-4-11-32-2/h5-6,15,17H,4,7-14,16H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyVZPXGRDWZSVHKR-UHFFFAOYSA-N
MW489.57 g/mol
LogP1.61
Rot. Bonds13

About 2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide

2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 143796966) has the molecular formula C24H35N5O6 and a molecular weight of 489.57 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID143796966
Molecular FormulaC24H35N5O6
Molecular Weight489.57 g/mol
Exact Mass489.26
IUPAC Name2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCOCCCNC(=O)c1cc(CN2CCOCC2)ccc1NC(=O)c1coc(N(C)CCOC)n1
InChIInChI=1S/C24H35N5O6/c1-28(8-12-33-3)24-27-21(17-35-24)23(31)26-20-6-5-18(16-29-9-13-34-14-10-29)15-19(20)22(30)25-7-4-11-32-2/h5-6,15,17H,4,7-14,16H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyVZPXGRDWZSVHKR-UHFFFAOYSA-N
XLogP1.61
TPSA118.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-3-fluoropyrrolidin-1-yl]-N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 67528455
N-[2-(2-methoxyethylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 70869922
5-[(3,3-dimethylmorpholin-4-yl)methyl]-2-[[2-[2-methoxyethyl(methyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 70955482
N-(3-methoxypropyl)-2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride
CID 68721807
5-[(3-ethynyl-3-methylmorpholin-4-yl)methyl]-2-[[2-[2-methoxyethyl(methyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 89049367
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide
CID 70845924
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119890420
2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide
CID 70845928
1-ethyl-3-(3-methoxypropyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 110975953
N-[4-[(4-fluoropiperidin-1-yl)methyl]-2-(propylcarbamoyl)phenyl]-2-[(3S)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 70955441
2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide
CID 140972491

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 143796966) is 2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide is COCCCNC(=O)c1cc(CN2CCOCC2)ccc1NC(=O)c1coc(N(C)CCOC)n1.
What is the InChIKey of 2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is VZPXGRDWZSVHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O6/c1-28(8-12-33-3)24-27-21(17-35-24)23(31)26-20-6-5-18(16-29-9-13-34-14-10-29)15-19(20)22(30)25-7-4-11-32-2/h5-6,15,17H,4,7-14,16H2,1-3H3,(H,25,30)(H,26,31).
What are the key properties of 2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide?
2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 489.57 g/mol, XLogP of 1.61, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(methyl)amino]-N-[2-(3-methoxypropylcarbamoyl)-4-(morpholin-4-ylmethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 143796966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).