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

C18H18N2O5 — CID 7992559

IUPACN-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCOc1cc(NC(=O)CCn2c(=O)oc3ccccc32)cc(OC)c1
InChIInChI=1S/C18H18N2O5/c1-23-13-9-12(10-14(11-13)24-2)19-17(21)7-8-20-15-5-3-4-6-16(15)25-18(20)22/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)
InChIKeyGXSVALONCRDZSY-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.64
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 7992559) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID7992559
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCOc1cc(NC(=O)CCn2c(=O)oc3ccccc32)cc(OC)c1
InChIInChI=1S/C18H18N2O5/c1-23-13-9-12(10-14(11-13)24-2)19-17(21)7-8-20-15-5-3-4-6-16(15)25-18(20)22/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)
InChIKeyGXSVALONCRDZSY-UHFFFAOYSA-N
XLogP2.64
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 9255702
N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7580962
N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42370403
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-methoxyphenyl)propanamide
CID 9138610
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 7780086
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8727538
N-(4-methoxyphenyl)-4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 8884332
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
CID 7741918

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 7992559) is N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is COc1cc(NC(=O)CCn2c(=O)oc3ccccc32)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is GXSVALONCRDZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-23-13-9-12(10-14(11-13)24-2)19-17(21)7-8-20-15-5-3-4-6-16(15)25-18(20)22/h3-6,9-11H,7-8H2,1-2H3,(H,19,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 342.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 7992559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).