[3-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone

C23H23N5O4 — CID 91905415

IUPAC[3-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCOCc1nc(-c2ccc(OC3CCN(C(=O)c4nn(C)c5ccccc45)C3)cc2)no1
InChIInChI=1S/C23H23N5O4/c1-27-19-6-4-3-5-18(19)21(25-27)23(29)28-12-11-17(13-28)31-16-9-7-15(8-10-16)22-24-20(14-30-2)32-26-22/h3-10,17H,11-14H2,1-2H3
InChIKeyULFJFIZZPCVQHS-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.06
Rot. Bonds6

About [3-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone

[3-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 91905415) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is [3-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
PubChem CID91905415
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name[3-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCOCc1nc(-c2ccc(OC3CCN(C(=O)c4nn(C)c5ccccc45)C3)cc2)no1
InChIInChI=1S/C23H23N5O4/c1-27-19-6-4-3-5-18(19)21(25-27)23(29)28-12-11-17(13-28)31-16-9-7-15(8-10-16)22-24-20(14-30-2)32-26-22/h3-10,17H,11-14H2,1-2H3
InChIKeyULFJFIZZPCVQHS-UHFFFAOYSA-N
XLogP3.06
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-[3-[[3-[3-[4-(Trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenoxy]ethyl]piperidin-4-ol
CID 141467461
5-[1-[[3-[2-(4-Methylpiperazin-1-yl)ethoxy]phenyl]methyl]indazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 141467463
Tert-butyl(5-(1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methylcarbamate
CID 42637431
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-4-methoxybenzamide
CID 67154263
[5-[1-(1,3-Benzodioxol-5-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637129
tert-butyl N-[[5-[1-(2-phenoxyethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637279
tert-butyl N-[[5-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637432
tert-butyl N-[[5-[2-(1,3-benzodioxol-5-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42638061
6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1H-indazole-3-carboxamide
CID 118738082
2-(4-ethoxyphenyl)-5-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372882
2-(4-ethoxyphenyl)-5-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372883
[5-[2-(1,3-Benzodioxol-5-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 42637130

Frequently Asked Questions

What is the IUPAC name of [3-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [3-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone (CID 91905415) is [3-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [3-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [3-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone is COCc1nc(-c2ccc(OC3CCN(C(=O)c4nn(C)c5ccccc45)C3)cc2)no1.
What is the InChIKey of [3-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is ULFJFIZZPCVQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-27-19-6-4-3-5-18(19)21(25-27)23(29)28-12-11-17(13-28)31-16-9-7-15(8-10-16)22-24-20(14-30-2)32-26-22/h3-10,17H,11-14H2,1-2H3.
What are the key properties of [3-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone?
[3-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 433.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 91905415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).