5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide

C19H19N3O4 — CID 51492693

IUPAC5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)N[C@H](C)c2ccncc2)cc1OC
InChIInChI=1S/C19H19N3O4/c1-12(13-6-8-20-9-7-13)22-19(23)17-18(26-11-21-17)14-4-5-15(24-2)16(10-14)25-3/h4-12H,1-3H3,(H,22,23)/t12-/m1/s1
InChIKeyOZVLYLVOUPUAJN-GFCCVEGCSA-N
MW353.38 g/mol
LogP3.24
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide

5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 51492693) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide
PubChem CID51492693
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)N[C@H](C)c2ccncc2)cc1OC
InChIInChI=1S/C19H19N3O4/c1-12(13-6-8-20-9-7-13)22-19(23)17-18(26-11-21-17)14-4-5-15(24-2)16(10-14)25-3/h4-12H,1-3H3,(H,22,23)/t12-/m1/s1
InChIKeyOZVLYLVOUPUAJN-GFCCVEGCSA-N
XLogP3.24
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide (CID 51492693) is 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide is COc1ccc(-c2ocnc2C(=O)N[C@H](C)c2ccncc2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is OZVLYLVOUPUAJN-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12(13-6-8-20-9-7-13)22-19(23)17-18(26-11-21-17)14-4-5-15(24-2)16(10-14)25-3/h4-12H,1-3H3,(H,22,23)/t12-/m1/s1.
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide?
5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 51492693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).