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

C26H25N5O3 — CID 126842413

IUPACN-[1-[2-(6-methoxy-1-methylindol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc2c(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)cn(C)c2c1
InChIInChI=1S/C26H25N5O3/c1-17-5-4-6-18(11-17)25-24(27-16-34-25)26(32)29-20-13-28-31(15-20)10-9-19-14-30(2)23-12-21(33-3)7-8-22(19)23/h4-8,11-16H,9-10H2,1-3H3,(H,29,32)
InChIKeyPAWGFRQASRYUDG-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.84
Rot. Bonds7

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

N-[1-[2-(6-methoxy-1-methylindol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 126842413) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[1-[2-(6-methoxy-1-methylindol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(6-methoxy-1-methylindol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID126842413
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC NameN-[1-[2-(6-methoxy-1-methylindol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc2c(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)cn(C)c2c1
InChIInChI=1S/C26H25N5O3/c1-17-5-4-6-18(11-17)25-24(27-16-34-25)26(32)29-20-13-28-31(15-20)10-9-19-14-30(2)23-12-21(33-3)7-8-22(19)23/h4-8,11-16H,9-10H2,1-3H3,(H,29,32)
InChIKeyPAWGFRQASRYUDG-UHFFFAOYSA-N
XLogP4.84
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(6-methoxy-1-methylindol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[2-(6-methoxy-1-methylindol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 126842413) is N-[1-[2-(6-methoxy-1-methylindol-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-1-methylindol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(6-methoxy-1-methylindol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is COc1ccc2c(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)cn(C)c2c1.
What is the InChIKey of N-[1-[2-(6-methoxy-1-methylindol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is PAWGFRQASRYUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-17-5-4-6-18(11-17)25-24(27-16-34-25)26(32)29-20-13-28-31(15-20)10-9-19-14-30(2)23-12-21(33-3)7-8-22(19)23/h4-8,11-16H,9-10H2,1-3H3,(H,29,32).
What are the key properties of N-[1-[2-(6-methoxy-1-methylindol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[1-[2-(6-methoxy-1-methylindol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(6-methoxy-1-methylindol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126842413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).