N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H21N3O5 — CID 20869171

IUPACN-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C2=NOC(C(=O)NCc3cccnc3)C2)cc(OC)c1OC
InChIInChI=1S/C19H21N3O5/c1-24-15-7-13(8-16(25-2)18(15)26-3)14-9-17(27-22-14)19(23)21-11-12-5-4-6-20-10-12/h4-8,10,17H,9,11H2,1-3H3,(H,21,23)
InChIKeyMCZWVHAYQGIYFB-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.92
Rot. Bonds7

About N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 20869171) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID20869171
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C2=NOC(C(=O)NCc3cccnc3)C2)cc(OC)c1OC
InChIInChI=1S/C19H21N3O5/c1-24-15-7-13(8-16(25-2)18(15)26-3)14-9-17(27-22-14)19(23)21-11-12-5-4-6-20-10-12/h4-8,10,17H,9,11H2,1-3H3,(H,21,23)
InChIKeyMCZWVHAYQGIYFB-UHFFFAOYSA-N
XLogP1.92
TPSA91.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 20869171) is N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1cc(C2=NOC(C(=O)NCc3cccnc3)C2)cc(OC)c1OC.
What is the InChIKey of N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is MCZWVHAYQGIYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-24-15-7-13(8-16(25-2)18(15)26-3)14-9-17(27-22-14)19(23)21-11-12-5-4-6-20-10-12/h4-8,10,17H,9,11H2,1-3H3,(H,21,23).
What are the key properties of N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 20869171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).