2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide

C18H17N3O4 — CID 110683465

IUPAC2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide
SMILESCn1c(=O)oc2ccc(CCC(=O)Nc3ccccc3C(N)=O)cc21
InChIInChI=1S/C18H17N3O4/c1-21-14-10-11(6-8-15(14)25-18(21)24)7-9-16(22)20-13-5-3-2-4-12(13)17(19)23/h2-6,8,10H,7,9H2,1H3,(H2,19,23)(H,20,22)
InChIKeyJDVFSDIKEFLNBY-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.80
Rot. Bonds5

About 2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide

2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide (PubChem CID 110683465) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide
PubChem CID110683465
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide
SMILESCn1c(=O)oc2ccc(CCC(=O)Nc3ccccc3C(N)=O)cc21
InChIInChI=1S/C18H17N3O4/c1-21-14-10-11(6-8-15(14)25-18(21)24)7-9-16(22)20-13-5-3-2-4-12(13)17(19)23/h2-6,8,10H,7,9H2,1H3,(H2,19,23)(H,20,22)
InChIKeyJDVFSDIKEFLNBY-UHFFFAOYSA-N
XLogP1.80
TPSA107.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110683459
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide
CID 110786871
3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoic acid
CID 82494222
N-(2-methoxyphenyl)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110774189
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-phenylacetamide
CID 110774161
3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110683424
2-[3-(3,4-diethoxyphenyl)propanoylamino]benzamide
CID 30395458
2-[3-(3-fluorophenyl)propanoylamino]benzamide
CID 110675454
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-phenylurea
CID 110776299
3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110607968
1-amino-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]urea
CID 115192957
6-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)hexanoic acid
CID 98033149

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide?
The IUPAC name of 2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide (CID 110683465) is 2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide.
What is the SMILES notation for 2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide?
The canonical SMILES for 2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide is Cn1c(=O)oc2ccc(CCC(=O)Nc3ccccc3C(N)=O)cc21.
What is the InChIKey of 2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide?
The InChIKey is JDVFSDIKEFLNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-21-14-10-11(6-8-15(14)25-18(21)24)7-9-16(22)20-13-5-3-2-4-12(13)17(19)23/h2-6,8,10H,7,9H2,1H3,(H2,19,23)(H,20,22).
What are the key properties of 2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide?
2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide has a molecular weight of 339.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide is sourced from PubChem (CID 110683465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).