3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole

C20H24N4O3 — CID 45227472

IUPAC3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
SMILESCCOc1ccc(-c2nc(CN3CCCC3c3nonc3C)c(C)o2)cc1
InChIInChI=1S/C20H24N4O3/c1-4-25-16-9-7-15(8-10-16)20-21-17(14(3)26-20)12-24-11-5-6-18(24)19-13(2)22-27-23-19/h7-10,18H,4-6,11-12H2,1-3H3
InChIKeySKMSGUOMTACWNG-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.08
Rot. Bonds6

About 3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole

3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole (PubChem CID 45227472) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
PubChem CID45227472
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
SMILESCCOc1ccc(-c2nc(CN3CCCC3c3nonc3C)c(C)o2)cc1
InChIInChI=1S/C20H24N4O3/c1-4-25-16-9-7-15(8-10-16)20-21-17(14(3)26-20)12-24-11-5-6-18(24)19-13(2)22-27-23-19/h7-10,18H,4-6,11-12H2,1-3H3
InChIKeySKMSGUOMTACWNG-UHFFFAOYSA-N
XLogP4.08
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2S)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
CID 28737597
3-[(2S)-1-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
CID 25304764
ethyl 2-[(2R)-1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]acetate
CID 42557347
2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45230544
(3S)-1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-3-carboxamide
CID 42514309
1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide
CID 42095450
4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 42287451
2-(4-butoxyphenyl)-5-methyl-4-[2-(2-methylpyrrolidin-1-yl)ethyl]-1,3-oxazole
CID 58951495
(4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762222
methyl 4-[4-[[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 42244942
2-(4-ethoxyphenyl)-5-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 156591414
1-cyclopentyl-3-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
CID 20955548

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole (CID 45227472) is 3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole is CCOc1ccc(-c2nc(CN3CCCC3c3nonc3C)c(C)o2)cc1.
What is the InChIKey of 3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is SKMSGUOMTACWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-4-25-16-9-7-15(8-10-16)20-21-17(14(3)26-20)12-24-11-5-6-18(24)19-13(2)22-27-23-19/h7-10,18H,4-6,11-12H2,1-3H3.
What are the key properties of 3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole?
3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole has a molecular weight of 368.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 45227472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).