3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide

C20H18N6O3S — CID 131925778

IUPAC3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCOc1ccccc1-c1noc(CCC(=O)NCc2csc(-c3cnccn3)n2)n1
InChIInChI=1S/C20H18N6O3S/c1-28-16-5-3-2-4-14(16)19-25-18(29-26-19)7-6-17(27)23-10-13-12-30-20(24-13)15-11-21-8-9-22-15/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,23,27)
InChIKeyMKEIQILIISIUSP-UHFFFAOYSA-N
MW422.47 g/mol
LogP2.91
Rot. Bonds8

About 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide

3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 131925778) has the molecular formula C20H18N6O3S and a molecular weight of 422.47 g/mol. Its IUPAC name is 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID131925778
Molecular FormulaC20H18N6O3S
Molecular Weight422.47 g/mol
Exact Mass422.12
IUPAC Name3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCOc1ccccc1-c1noc(CCC(=O)NCc2csc(-c3cnccn3)n2)n1
InChIInChI=1S/C20H18N6O3S/c1-28-16-5-3-2-4-14(16)19-25-18(29-26-19)7-6-17(27)23-10-13-12-30-20(24-13)15-11-21-8-9-22-15/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,23,27)
InChIKeyMKEIQILIISIUSP-UHFFFAOYSA-N
XLogP2.91
TPSA115.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330856
N-[2-(2-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50957271
N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330882
N-[(2-methoxyphenyl)methyl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761955
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 17354606
N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135441
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
3-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide
CID 2987891
N-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 6734087
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8920515
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 131943695
N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329998

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 131925778) is 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide is COc1ccccc1-c1noc(CCC(=O)NCc2csc(-c3cnccn3)n2)n1.
What is the InChIKey of 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is MKEIQILIISIUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3S/c1-28-16-5-3-2-4-14(16)19-25-18(29-26-19)7-6-17(27)23-10-13-12-30-20(24-13)15-11-21-8-9-22-15/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,23,27).
What are the key properties of 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 422.47 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 131925778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).