N-(3,4-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

C15H18N2O4 — CID 3237246

IUPACN-(3,4-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(C)C)on2)cc1OC
InChIInChI=1S/C15H18N2O4/c1-9(2)13-8-11(17-21-13)15(18)16-10-5-6-12(19-3)14(7-10)20-4/h5-9H,1-4H3,(H,16,18)
InChIKeyPCBJFPIUDSDTDR-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.07
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-(3,4-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3237246) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3237246
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-(3,4-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(C)C)on2)cc1OC
InChIInChI=1S/C15H18N2O4/c1-9(2)13-8-11(17-21-13)15(18)16-10-5-6-12(19-3)14(7-10)20-4/h5-9H,1-4H3,(H,16,18)
InChIKeyPCBJFPIUDSDTDR-UHFFFAOYSA-N
XLogP3.07
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093725
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093771
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3494857
N-1,3-benzodioxol-5-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 5085061
N-(benzo[d][1,3]dioxol-5-yl)-2-(3,5-dimethylisoxazol-4-yl)acetamide
CID 9437284
5-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]isoxazole-3-carboxamide
CID 16188846
N-(3-hydroxyphenyl)-5-isobutylisoxazole-3-carboxamide
CID 16194030
N-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 17252844
N-(3,4-dimethoxyphenyl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
CID 20864728
N-(4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
CID 3361256
[5-(3-hydroxyphenyl)isoxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)carboxamide
CID 5307652

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 3237246) is N-(3,4-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is COc1ccc(NC(=O)c2cc(C(C)C)on2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is PCBJFPIUDSDTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9(2)13-8-11(17-21-13)15(18)16-10-5-6-12(19-3)14(7-10)20-4/h5-9H,1-4H3,(H,16,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(3,4-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3237246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).