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

C24H27N3O4 — CID 53110019

IUPAC5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(OCc3cc(C(=O)NCCC(C)C)no3)cc2)cc1
InChIInChI=1S/C24H27N3O4/c1-16(2)12-13-25-24(29)22-14-21(31-27-22)15-30-20-10-8-19(9-11-20)26-23(28)18-6-4-17(3)5-7-18/h4-11,14,16H,12-13,15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyMFTZJUQVTLZPBK-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.59
Rot. Bonds9

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

5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide (PubChem CID 53110019) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
PubChem CID53110019
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(OCc3cc(C(=O)NCCC(C)C)no3)cc2)cc1
InChIInChI=1S/C24H27N3O4/c1-16(2)12-13-25-24(29)22-14-21(31-27-22)15-30-20-10-8-19(9-11-20)26-23(28)18-6-4-17(3)5-7-18/h4-11,14,16H,12-13,15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyMFTZJUQVTLZPBK-UHFFFAOYSA-N
XLogP4.59
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110056
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110030
5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110258
N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110035
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 53110074
5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 53110124
5-[[4-[(4-chlorobenzoyl)amino]phenoxy]methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 53110324
5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide
CID 53010732
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110065
N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110137
5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 53110271
N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253347

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide (CID 53110019) is 5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(OCc3cc(C(=O)NCCC(C)C)no3)cc2)cc1.
What is the InChIKey of 5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MFTZJUQVTLZPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-16(2)12-13-25-24(29)22-14-21(31-27-22)15-30-20-10-8-19(9-11-20)26-23(28)18-6-4-17(3)5-7-18/h4-11,14,16H,12-13,15H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53110019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).