2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole

C23H20N4O — CID 68657526

IUPAC2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
SMILESCn1ccc2cc(-c3ccc4oc(N5CCn6cccc6C5)nc4c3)ccc21
InChIInChI=1S/C23H20N4O/c1-25-10-8-18-13-16(4-6-21(18)25)17-5-7-22-20(14-17)24-23(28-22)27-12-11-26-9-2-3-19(26)15-27/h2-10,13-14H,11-12,15H2,1H3
InChIKeyMCBHKKITYUPMCN-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.81
Rot. Bonds2

About 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole

2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole (PubChem CID 68657526) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
PubChem CID68657526
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
SMILESCn1ccc2cc(-c3ccc4oc(N5CCn6cccc6C5)nc4c3)ccc21
InChIInChI=1S/C23H20N4O/c1-25-10-8-18-13-16(4-6-21(18)25)17-5-7-22-20(14-17)24-23(28-22)27-12-11-26-9-2-3-19(26)15-27/h2-10,13-14H,11-12,15H2,1H3
InChIKeyMCBHKKITYUPMCN-UHFFFAOYSA-N
XLogP4.81
TPSA39.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole?
The IUPAC name of 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole (CID 68657526) is 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole is Cn1ccc2cc(-c3ccc4oc(N5CCn6cccc6C5)nc4c3)ccc21.
What is the InChIKey of 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole?
The InChIKey is MCBHKKITYUPMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-25-10-8-18-13-16(4-6-21(18)25)17-5-7-22-20(14-17)24-23(28-22)27-12-11-26-9-2-3-19(26)15-27/h2-10,13-14H,11-12,15H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole?
2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole has a molecular weight of 368.44 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 68657526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).