N-(3,5-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C19H20N2O5 — CID 4791191

IUPACN-(3,5-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCOc1cc(NC(=O)CCCn2c(=O)oc3ccccc32)cc(OC)c1
InChIInChI=1S/C19H20N2O5/c1-24-14-10-13(11-15(12-14)25-2)20-18(22)8-5-9-21-16-6-3-4-7-17(16)26-19(21)23/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,20,22)
InChIKeyLZGZFSKYTIASKY-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.03
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-(3,5-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 4791191) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID4791191
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCOc1cc(NC(=O)CCCn2c(=O)oc3ccccc32)cc(OC)c1
InChIInChI=1S/C19H20N2O5/c1-24-14-10-13(11-15(12-14)25-2)20-18(22)8-5-9-21-16-6-3-4-7-17(16)26-19(21)23/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,20,22)
InChIKeyLZGZFSKYTIASKY-UHFFFAOYSA-N
XLogP3.03
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 4791191) is N-(3,5-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is COc1cc(NC(=O)CCCn2c(=O)oc3ccccc32)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is LZGZFSKYTIASKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-24-14-10-13(11-15(12-14)25-2)20-18(22)8-5-9-21-16-6-3-4-7-17(16)26-19(21)23/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-(3,5-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 356.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 4791191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).