3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C12H14N2O4 — CID 4907517

IUPAC3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(N)=O)C2)cc1OC
InChIInChI=1S/C12H14N2O4/c1-16-9-4-3-7(5-10(9)17-2)8-6-11(12(13)15)18-14-8/h3-5,11H,6H2,1-2H3,(H2,13,15)
InChIKeyBGKQMPARDPMOHA-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.68
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 4907517) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID4907517
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(N)=O)C2)cc1OC
InChIInChI=1S/C12H14N2O4/c1-16-9-4-3-7(5-10(9)17-2)8-6-11(12(13)15)18-14-8/h3-5,11H,6H2,1-2H3,(H2,13,15)
InChIKeyBGKQMPARDPMOHA-UHFFFAOYSA-N
XLogP0.68
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 4907517) is 3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C(N)=O)C2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BGKQMPARDPMOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-16-9-4-3-7(5-10(9)17-2)8-6-11(12(13)15)18-14-8/h3-5,11H,6H2,1-2H3,(H2,13,15).
What are the key properties of 3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 250.25 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 4907517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).