3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine

C20H18N4O3 — CID 56804615

IUPAC3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(CCc2nnc(-c3cnc4onc(C5CC5)c4c3)o2)cc1
InChIInChI=1S/C20H18N4O3/c1-25-15-7-2-12(3-8-15)4-9-17-22-23-19(26-17)14-10-16-18(13-5-6-13)24-27-20(16)21-11-14/h2-3,7-8,10-11,13H,4-6,9H2,1H3
InChIKeyDXAKYBLNWNSSLU-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.94
Rot. Bonds6

About 3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine

3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 56804615) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
PubChem CID56804615
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(CCc2nnc(-c3cnc4onc(C5CC5)c4c3)o2)cc1
InChIInChI=1S/C20H18N4O3/c1-25-15-7-2-12(3-8-15)4-9-17-22-23-19(26-17)14-10-16-18(13-5-6-13)24-27-20(16)21-11-14/h2-3,7-8,10-11,13H,4-6,9H2,1H3
InChIKeyDXAKYBLNWNSSLU-UHFFFAOYSA-N
XLogP3.94
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopropyl-5-[5-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 56804581
3-cyclopropyl-5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 95618377
3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 95763196
2-(4-methoxyphenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653679
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345
2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153717
methyl 5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 112618989
2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122
5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72919183
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanol
CID 3041371
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (CID 56804615) is 3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is COc1ccc(CCc2nnc(-c3cnc4onc(C5CC5)c4c3)o2)cc1.
What is the InChIKey of 3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is DXAKYBLNWNSSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-25-15-7-2-12(3-8-15)4-9-17-22-23-19(26-17)14-10-16-18(13-5-6-13)24-27-20(16)21-11-14/h2-3,7-8,10-11,13H,4-6,9H2,1H3.
What are the key properties of 3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 362.39 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 56804615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).