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

C17H17N3O4 — CID 3243969

IUPAC3-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(OC)c(C2=NOC(C(=O)Nc3cccnc3)C2)c1
InChIInChI=1S/C17H17N3O4/c1-22-12-5-6-15(23-2)13(8-12)14-9-16(24-20-14)17(21)19-11-4-3-7-18-10-11/h3-8,10,16H,9H2,1-2H3,(H,19,21)
InChIKeyWOUUPTZAEJVKFV-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.23
Rot. Bonds5

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

3-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3243969) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3243969
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name3-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(OC)c(C2=NOC(C(=O)Nc3cccnc3)C2)c1
InChIInChI=1S/C17H17N3O4/c1-22-12-5-6-15(23-2)13(8-12)14-9-16(24-20-14)17(21)19-11-4-3-7-18-10-11/h3-8,10,16H,9H2,1-2H3,(H,19,21)
InChIKeyWOUUPTZAEJVKFV-UHFFFAOYSA-N
XLogP2.23
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3243969) is 3-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(OC)c(C2=NOC(C(=O)Nc3cccnc3)C2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WOUUPTZAEJVKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-22-12-5-6-15(23-2)13(8-12)14-9-16(24-20-14)17(21)19-11-4-3-7-18-10-11/h3-8,10,16H,9H2,1-2H3,(H,19,21).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3243969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).