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

C18H18N2O4 — CID 110683459

IUPACN-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
SMILESCOc1ccccc1NC(=O)CCc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C18H18N2O4/c1-20-14-11-12(7-9-16(14)24-18(20)22)8-10-17(21)19-13-5-3-4-6-15(13)23-2/h3-7,9,11H,8,10H2,1-2H3,(H,19,21)
InChIKeyYERXGAPAJUEVMX-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.71
Rot. Bonds5

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

N-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide (PubChem CID 110683459) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
PubChem CID110683459
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
SMILESCOc1ccccc1NC(=O)CCc1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C18H18N2O4/c1-20-14-11-12(7-9-16(14)24-18(20)22)8-10-17(21)19-13-5-3-4-6-15(13)23-2/h3-7,9,11H,8,10H2,1-2H3,(H,19,21)
InChIKeyYERXGAPAJUEVMX-UHFFFAOYSA-N
XLogP2.71
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110774189
2-[3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoylamino]benzamide
CID 110683465
N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390488
2-(2-methoxyphenoxy)-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]acetamide
CID 110786884
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
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
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
CID 28713140
3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide
CID 18124058
N-butan-2-yl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110683389
N-[2-(2-fluorophenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110683427
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110792263

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide (CID 110683459) is N-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide is COc1ccccc1NC(=O)CCc1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of N-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is YERXGAPAJUEVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-20-14-11-12(7-9-16(14)24-18(20)22)8-10-17(21)19-13-5-3-4-6-15(13)23-2/h3-7,9,11H,8,10H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
N-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 326.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 110683459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).