N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxypropanoylamino)benzamide

C20H19N3O4 — CID 2961706

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxypropanoylamino)benzamide
SMILESCc1cc(NC(=O)c2ccc(NC(=O)C(C)Oc3ccccc3)cc2)no1
InChIInChI=1S/C20H19N3O4/c1-13-12-18(23-27-13)22-20(25)15-8-10-16(11-9-15)21-19(24)14(2)26-17-6-4-3-5-7-17/h3-12,14H,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyASSWDBYKWPLBCN-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.64
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxypropanoylamino)benzamide

N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxypropanoylamino)benzamide (PubChem CID 2961706) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxypropanoylamino)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxypropanoylamino)benzamide
PubChem CID2961706
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxypropanoylamino)benzamide
SMILESCc1cc(NC(=O)c2ccc(NC(=O)C(C)Oc3ccccc3)cc2)no1
InChIInChI=1S/C20H19N3O4/c1-13-12-18(23-27-13)22-20(25)15-8-10-16(11-9-15)21-19(24)14(2)26-17-6-4-3-5-7-17/h3-12,14H,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyASSWDBYKWPLBCN-UHFFFAOYSA-N
XLogP3.64
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxypropanoylamino)benzamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxypropanoylamino)benzamide (CID 2961706) is N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxypropanoylamino)benzamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxypropanoylamino)benzamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxypropanoylamino)benzamide is Cc1cc(NC(=O)c2ccc(NC(=O)C(C)Oc3ccccc3)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxypropanoylamino)benzamide?
The InChIKey is ASSWDBYKWPLBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-12-18(23-27-13)22-20(25)15-8-10-16(11-9-15)21-19(24)14(2)26-17-6-4-3-5-7-17/h3-12,14H,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxypropanoylamino)benzamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxypropanoylamino)benzamide has a molecular weight of 365.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxypropanoylamino)benzamide is sourced from PubChem (CID 2961706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).