N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide

C15H20N2O3 — CID 110683389

IUPACN-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
SMILESCCC(C)NC(=O)CCc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C15H20N2O3/c1-4-10(2)16-14(18)8-6-11-5-7-13-12(9-11)17(3)15(19)20-13/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,18)
InChIKeyMYRKLBIOXJPGMM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.98
Rot. Bonds5

About N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide

N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide (PubChem CID 110683389) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
PubChem CID110683389
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
SMILESCCC(C)NC(=O)CCc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C15H20N2O3/c1-4-10(2)16-14(18)8-6-11-5-7-13-12(9-11)17(3)15(19)20-13/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,18)
InChIKeyMYRKLBIOXJPGMM-UHFFFAOYSA-N
XLogP1.98
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoic acid
CID 82494222
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110792263
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-3-phenylpropanamide
CID 110786871
3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
CID 110683403
2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide
CID 110683465
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-methylpropyl)acetamide
CID 110774091
N-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110683459
3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110683424
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-propylurea
CID 110776303
N-[2-(2-fluorophenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110683427
6-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)hexanoic acid
CID 98033149
3-methyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
CID 110683394

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide (CID 110683389) is N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide is CCC(C)NC(=O)CCc1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is MYRKLBIOXJPGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-10(2)16-14(18)8-6-11-5-7-13-12(9-11)17(3)15(19)20-13/h5,7,9-10H,4,6,8H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 276.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 110683389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).