5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C23H25N3O5 — CID 53110271

IUPAC5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1C(=O)Nc1ccc(OCc2cc(C(=O)NCC(C)C)no2)cc1
InChIInChI=1S/C23H25N3O5/c1-15(2)13-24-23(28)20-12-18(31-26-20)14-30-17-10-8-16(9-11-17)25-22(27)19-6-4-5-7-21(19)29-3/h4-12,15H,13-14H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyDWOMRKLUVYEORQ-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.90
Rot. Bonds9

About 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 53110271) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID53110271
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1C(=O)Nc1ccc(OCc2cc(C(=O)NCC(C)C)no2)cc1
InChIInChI=1S/C23H25N3O5/c1-15(2)13-24-23(28)20-12-18(31-26-20)14-30-17-10-8-16(9-11-17)25-22(27)19-6-4-5-7-21(19)29-3/h4-12,15H,13-14H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyDWOMRKLUVYEORQ-UHFFFAOYSA-N
XLogP3.90
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110258
5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110260
5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 53110124
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 56751364
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110019
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110056
5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide
CID 53010732
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide
CID 119051375
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 53110074
5-[[4-[(2-fluorobenzoyl)amino]phenoxy]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95086436
5-[[4-[(4-chlorobenzoyl)amino]phenoxy]methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 53110324

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 53110271) is 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is COc1ccccc1C(=O)Nc1ccc(OCc2cc(C(=O)NCC(C)C)no2)cc1.
What is the InChIKey of 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DWOMRKLUVYEORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-15(2)13-24-23(28)20-12-18(31-26-20)14-30-17-10-8-16(9-11-17)25-22(27)19-6-4-5-7-21(19)29-3/h4-12,15H,13-14H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53110271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).