N-[1-[2-(5-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

C25H23N5O3 — CID 126842426

IUPACN-[1-[2-(5-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc2c(ccn2CCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)c1
InChIInChI=1S/C25H23N5O3/c1-17-4-3-5-19(12-17)24-23(26-16-33-24)25(31)28-20-14-27-30(15-20)11-10-29-9-8-18-13-21(32-2)6-7-22(18)29/h3-9,12-16H,10-11H2,1-2H3,(H,28,31)
InChIKeyAXWUDUISEZKIOY-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.76
Rot. Bonds7

About N-[1-[2-(5-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

N-[1-[2-(5-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 126842426) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[1-[2-(5-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(5-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID126842426
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC NameN-[1-[2-(5-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc2c(ccn2CCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)c1
InChIInChI=1S/C25H23N5O3/c1-17-4-3-5-19(12-17)24-23(26-16-33-24)25(31)28-20-14-27-30(15-20)11-10-29-9-8-18-13-21(32-2)6-7-22(18)29/h3-9,12-16H,10-11H2,1-2H3,(H,28,31)
InChIKeyAXWUDUISEZKIOY-UHFFFAOYSA-N
XLogP4.76
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[2-(5-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 126842426) is N-[1-[2-(5-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(5-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(5-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is COc1ccc2c(ccn2CCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)c1.
What is the InChIKey of N-[1-[2-(5-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is AXWUDUISEZKIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-17-4-3-5-19(12-17)24-23(26-16-33-24)25(31)28-20-14-27-30(15-20)11-10-29-9-8-18-13-21(32-2)6-7-22(18)29/h3-9,12-16H,10-11H2,1-2H3,(H,28,31).
What are the key properties of N-[1-[2-(5-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[1-[2-(5-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126842426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).