2-indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone

C24H25N5O3 — CID 70802787

IUPAC2-indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)ccc1-c1cnc(C)o1
InChIInChI=1S/C24H25N5O3/c1-17-25-15-23(32-17)20-8-7-19(13-22(20)31-2)27-9-11-28(12-10-27)24(30)16-29-21-6-4-3-5-18(21)14-26-29/h3-8,13-15H,9-12,16H2,1-2H3
InChIKeyUPSGLKIYYBGTJA-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.36
Rot. Bonds5

About 2-indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone

2-indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone (PubChem CID 70802787) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
PubChem CID70802787
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)ccc1-c1cnc(C)o1
InChIInChI=1S/C24H25N5O3/c1-17-25-15-23(32-17)20-8-7-19(13-22(20)31-2)27-9-11-28(12-10-27)24(30)16-29-21-6-4-3-5-18(21)14-26-29/h3-8,13-15H,9-12,16H2,1-2H3
InChIKeyUPSGLKIYYBGTJA-UHFFFAOYSA-N
XLogP3.36
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Benzyl-6-methoxy-5-oxazol-5-yl-1H-indole
CID 22238481
6-Methoxy-5-oxazol-5-yl-2-phenyl-1H-indole
CID 22238483
N-[2-[2-(3-methoxy-4-oxazol-5-yl-anilino)oxazol-5-yl]phenyl]-N-methyl-2-pyrazol-1-yl-acetamide
CID 497790
N-(3-methoxy-4-(oxazol-5-yl)phenyl)-1H-indole-2-carboxamide
CID 12093480
1-Methyl-1H-indole-2-carboxylic acid (3-methoxy-4-oxazol-5-yl-phenyl)-amide
CID 22058487
Indolizine-2-carboxylic acid (3-methoxy-4-oxazol-5-yl-phenyl)-amide
CID 22058517
2-(pyridin-2-yl)-5-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)furo[3,2-c]pyridin-4(5H)-one
CID 25018073
N-[3-methoxy-4-(5-oxazolyl)phenyl]-1H-indazole-3-carboxamide
CID 44329815
N-[1-[2-(6-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60161704
N-[1-[2-(4,6-dimethoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60161838
2-(Benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
CID 70802798
2-(Benzotriazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
CID 118728956

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone (CID 70802787) is 2-indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone is COc1cc(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)ccc1-c1cnc(C)o1.
What is the InChIKey of 2-indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is UPSGLKIYYBGTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-17-25-15-23(32-17)20-8-7-19(13-22(20)31-2)27-9-11-28(12-10-27)24(30)16-29-21-6-4-3-5-18(21)14-26-29/h3-8,13-15H,9-12,16H2,1-2H3.
What are the key properties of 2-indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone?
2-indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 431.50 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 70802787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).