ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate

C23H32N4O7 — CID 3624648

IUPACethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N(CCCOC)Cc2nc(C(=O)NCCCOC)co2)cc1
InChIInChI=1S/C23H32N4O7/c1-4-33-22(29)17-7-9-18(10-8-17)25-23(30)27(12-6-14-32-3)15-20-26-19(16-34-20)21(28)24-11-5-13-31-2/h7-10,16H,4-6,11-15H2,1-3H3,(H,24,28)(H,25,30)
InChIKeyBKQXJHLSXUNJTQ-UHFFFAOYSA-N
MW476.53 g/mol
LogP2.69
Rot. Bonds14

About ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate

ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate (PubChem CID 3624648) has the molecular formula C23H32N4O7 and a molecular weight of 476.53 g/mol. Its IUPAC name is ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate
PubChem CID3624648
Molecular FormulaC23H32N4O7
Molecular Weight476.53 g/mol
Exact Mass476.23
IUPAC Nameethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N(CCCOC)Cc2nc(C(=O)NCCCOC)co2)cc1
InChIInChI=1S/C23H32N4O7/c1-4-33-22(29)17-7-9-18(10-8-17)25-23(30)27(12-6-14-32-3)15-20-26-19(16-34-20)21(28)24-11-5-13-31-2/h7-10,16H,4-6,11-15H2,1-3H3,(H,24,28)(H,25,30)
InChIKeyBKQXJHLSXUNJTQ-UHFFFAOYSA-N
XLogP2.69
TPSA132.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate with MolForge

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Related Compounds

N-(3-ethoxypropyl)-2-[[3-ethoxypropyl(phenylcarbamoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3920716
2-[[(3-methoxyphenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 3945915
N-(3-methoxypropyl)-2-[[3-methoxypropyl-(4-pentylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4690718
methyl 2-[[3-methoxypropyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 4013634
ethyl 2-[[3-ethoxypropyl-[[4-(3-ethoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]acetate
CID 5126665
N-(3-methoxypropyl)-2-[[3-methoxypropyl-(2-phenylacetyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3454944
N-(3-ethoxypropyl)-2-[[3-ethoxypropyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 3993680
methyl 2-[[(3,4-difluorophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4030458
2-[[(3-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 4567958
2-[[(2-bromobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-oxazole-4-carboxamide
CID 5037359
N-(3-methoxypropyl)-2-[[3-methoxypropyl-[(2R)-2-phenylbutanoyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 7271474
methyl 2-[[(4-ethylbenzoyl)-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4538081

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate (CID 3624648) is ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)N(CCCOC)Cc2nc(C(=O)NCCCOC)co2)cc1.
What is the InChIKey of ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate?
The InChIKey is BKQXJHLSXUNJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O7/c1-4-33-22(29)17-7-9-18(10-8-17)25-23(30)27(12-6-14-32-3)15-20-26-19(16-34-20)21(28)24-11-5-13-31-2/h7-10,16H,4-6,11-15H2,1-3H3,(H,24,28)(H,25,30).
What are the key properties of ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate?
ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate has a molecular weight of 476.53 g/mol, XLogP of 2.69, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-methoxypropyl-[[4-(3-methoxypropylcarbamoyl)-1,3-oxazol-2-yl]methyl]carbamoyl]amino]benzoate is sourced from PubChem (CID 3624648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).