N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

C18H14N2O5 — CID 3604841

IUPACN-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)no2)c1
InChIInChI=1S/C18H14N2O5/c1-22-13-4-2-3-11(7-13)16-9-14(20-25-16)18(21)19-12-5-6-15-17(8-12)24-10-23-15/h2-9H,10H2,1H3,(H,19,21)
InChIKeyWDEVUBWQRQVQAP-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.33
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3604841) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3604841
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)no2)c1
InChIInChI=1S/C18H14N2O5/c1-22-13-4-2-3-11(7-13)16-9-14(20-25-16)18(21)19-12-5-6-15-17(8-12)24-10-23-15/h2-9H,10H2,1H3,(H,19,21)
InChIKeyWDEVUBWQRQVQAP-UHFFFAOYSA-N
XLogP3.33
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 15988828
N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 18280337
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
5-(3-methoxyphenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 110313569
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110619481
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747200
N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide
CID 33313694
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336333
5-[4-(diaminomethylideneamino)phenyl]-N-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 86567793
N-(3,5-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285765
5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide
CID 110313725

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3604841) is N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)no2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WDEVUBWQRQVQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-22-13-4-2-3-11(7-13)16-9-14(20-25-16)18(21)19-12-5-6-15-17(8-12)24-10-23-15/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 338.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3604841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).