3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]propanamide

C26H29N5O2 — CID 11430678

IUPAC3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3ccc4cnn(CCN5CCCC5)c4c3)o2)cc1
InChIInChI=1S/C26H29N5O2/c1-19-4-6-20(7-5-19)24-18-27-26(33-24)11-10-25(32)29-22-9-8-21-17-28-31(23(21)16-22)15-14-30-12-2-3-13-30/h4-9,16-18H,2-3,10-15H2,1H3,(H,29,32)
InChIKeyBBIDXTKVBOUCDV-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.67
Rot. Bonds8

About 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]propanamide

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]propanamide (PubChem CID 11430678) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]propanamide.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]propanamide
PubChem CID11430678
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3ccc4cnn(CCN5CCCC5)c4c3)o2)cc1
InChIInChI=1S/C26H29N5O2/c1-19-4-6-20(7-5-19)24-18-27-26(33-24)11-10-25(32)29-22-9-8-21-17-28-31(23(21)16-22)15-14-30-12-2-3-13-30/h4-9,16-18H,2-3,10-15H2,1H3,(H,29,32)
InChIKeyBBIDXTKVBOUCDV-UHFFFAOYSA-N
XLogP4.67
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]propanamide?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]propanamide (CID 11430678) is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]propanamide.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]propanamide?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]propanamide is Cc1ccc(-c2cnc(CCC(=O)Nc3ccc4cnn(CCN5CCCC5)c4c3)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]propanamide?
The InChIKey is BBIDXTKVBOUCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-19-4-6-20(7-5-19)24-18-27-26(33-24)11-10-25(32)29-22-9-8-21-17-28-31(23(21)16-22)15-14-30-12-2-3-13-30/h4-9,16-18H,2-3,10-15H2,1H3,(H,29,32).
What are the key properties of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]propanamide?
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]propanamide has a molecular weight of 443.55 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]propanamide is sourced from PubChem (CID 11430678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).