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

C23H25N3O4 — CID 53110124

IUPAC5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(OCc3cc(C(=O)NCC(C)C)no3)cc2)c1
InChIInChI=1S/C23H25N3O4/c1-15(2)13-24-23(28)21-12-20(30-26-21)14-29-19-9-7-18(8-10-19)25-22(27)17-6-4-5-16(3)11-17/h4-12,15H,13-14H2,1-3H3,(H,24,28)(H,25,27)
InChIKeySEYNUOWHTDBPDV-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.20
Rot. Bonds8

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

5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 53110124) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID53110124
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(OCc3cc(C(=O)NCC(C)C)no3)cc2)c1
InChIInChI=1S/C23H25N3O4/c1-15(2)13-24-23(28)21-12-20(30-26-21)14-29-19-9-7-18(8-10-19)25-22(27)17-6-4-5-16(3)11-17/h4-12,15H,13-14H2,1-3H3,(H,24,28)(H,25,27)
InChIKeySEYNUOWHTDBPDV-UHFFFAOYSA-N
XLogP4.20
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 53110124) is 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is Cc1cccc(C(=O)Nc2ccc(OCc3cc(C(=O)NCC(C)C)no3)cc2)c1.
What is the InChIKey of 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SEYNUOWHTDBPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15(2)13-24-23(28)21-12-20(30-26-21)14-29-19-9-7-18(8-10-19)25-22(27)17-6-4-5-16(3)11-17/h4-12,15H,13-14H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53110124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).