N-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

C25H23N5O3 — CID 126842412

IUPACN-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc2c(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)c[nH]c2c1
InChIInChI=1S/C25H23N5O3/c1-16-4-3-5-17(10-16)24-23(27-15-33-24)25(31)29-19-13-28-30(14-19)9-8-18-12-26-22-11-20(32-2)6-7-21(18)22/h3-7,10-15,26H,8-9H2,1-2H3,(H,29,31)
InChIKeyXVNKCDRHFKJBBW-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.83
Rot. Bonds7

About N-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

N-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 126842412) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID126842412
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC NameN-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc2c(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)c[nH]c2c1
InChIInChI=1S/C25H23N5O3/c1-16-4-3-5-17(10-16)24-23(27-15-33-24)25(31)29-19-13-28-30(14-19)9-8-18-12-26-22-11-20(32-2)6-7-21(18)22/h3-7,10-15,26H,8-9H2,1-2H3,(H,29,31)
InChIKeyXVNKCDRHFKJBBW-UHFFFAOYSA-N
XLogP4.83
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 126842412) is N-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is COc1ccc2c(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)c[nH]c2c1.
What is the InChIKey of N-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is XVNKCDRHFKJBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-16-4-3-5-17(10-16)24-23(27-15-33-24)25(31)29-19-13-28-30(14-19)9-8-18-12-26-22-11-20(32-2)6-7-21(18)22/h3-7,10-15,26H,8-9H2,1-2H3,(H,29,31).
What are the key properties of N-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(6-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126842412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).