2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide

C17H20N2O4 — CID 51099771

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
SMILESCc1cc(CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)no1
InChIInChI=1S/C17H20N2O4/c1-11-8-13(19-23-11)10-18-16(20)17(2,3)12-4-5-14-15(9-12)22-7-6-21-14/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,20)
InChIKeyQYQCEQWBDUQZHT-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.35
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide (PubChem CID 51099771) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
PubChem CID51099771
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
SMILESCc1cc(CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)no1
InChIInChI=1S/C17H20N2O4/c1-11-8-13(19-23-11)10-18-16(20)17(2,3)12-4-5-14-15(9-12)22-7-6-21-14/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,20)
InChIKeyQYQCEQWBDUQZHT-UHFFFAOYSA-N
XLogP2.35
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 80556831
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119504951
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 113197919
2-(1,3-benzodioxol-5-yl)-N-benzyl-2-methylpropanamide
CID 113197703
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113197929
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)-2-methylpropanamide
CID 113197945
2-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 113197712
2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide
CID 113197678
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide
CID 52794866
3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 47728425
N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 99809011
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52795053

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide (CID 51099771) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide is Cc1cc(CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)no1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
The InChIKey is QYQCEQWBDUQZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-8-13(19-23-11)10-18-16(20)17(2,3)12-4-5-14-15(9-12)22-7-6-21-14/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,20).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide has a molecular weight of 316.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide is sourced from PubChem (CID 51099771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).