N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide

C25H21N5O4 — CID 50841846

IUPACN-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide
SMILESCOc1ccc(-c2nnc(COc3cccc(NC(=O)c4nn(C)c5ccccc45)c3)o2)cc1
InChIInChI=1S/C25H21N5O4/c1-30-21-9-4-3-8-20(21)23(29-30)24(31)26-17-6-5-7-19(14-17)33-15-22-27-28-25(34-22)16-10-12-18(32-2)13-11-16/h3-14H,15H2,1-2H3,(H,26,31)
InChIKeyNOQIMCCGHHGEEG-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.46
Rot. Bonds7

About N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide

N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide (PubChem CID 50841846) has the molecular formula C25H21N5O4 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide
PubChem CID50841846
Molecular FormulaC25H21N5O4
Molecular Weight455.47 g/mol
Exact Mass455.16
IUPAC NameN-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide
SMILESCOc1ccc(-c2nnc(COc3cccc(NC(=O)c4nn(C)c5ccccc45)c3)o2)cc1
InChIInChI=1S/C25H21N5O4/c1-30-21-9-4-3-8-20(21)23(29-30)24(31)26-17-6-5-7-19(14-17)33-15-22-27-28-25(34-22)16-10-12-18(32-2)13-11-16/h3-14H,15H2,1-2H3,(H,26,31)
InChIKeyNOQIMCCGHHGEEG-UHFFFAOYSA-N
XLogP4.46
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]indazole-3-carboxamide
CID 50842023
N-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide
CID 50842053
N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide
CID 92900005
N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]furan-3-carboxamide
CID 50841969
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]isoquinoline-1-carboxamide
CID 50843968
(3R)-1-(4-methoxyphenyl)-N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92899994
4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843851
3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide
CID 50841818
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide (CID 50841846) is N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide is COc1ccc(-c2nnc(COc3cccc(NC(=O)c4nn(C)c5ccccc45)c3)o2)cc1.
What is the InChIKey of N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide?
The InChIKey is NOQIMCCGHHGEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O4/c1-30-21-9-4-3-8-20(21)23(29-30)24(31)26-17-6-5-7-19(14-17)33-15-22-27-28-25(34-22)16-10-12-18(32-2)13-11-16/h3-14H,15H2,1-2H3,(H,26,31).
What are the key properties of N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide?
N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 50841846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).