2-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole

C19H24N4O — CID 56780525

IUPAC2-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole
SMILESCc1cnn(CC2CCCN2CCCc2nc3ccccc3o2)c1
InChIInChI=1S/C19H24N4O/c1-15-12-20-23(13-15)14-16-6-4-10-22(16)11-5-9-19-21-17-7-2-3-8-18(17)24-19/h2-3,7-8,12-13,16H,4-6,9-11,14H2,1H3
InChIKeyHVGKAQQJVSLFOU-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.43
Rot. Bonds6

About 2-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole

2-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole (PubChem CID 56780525) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole
PubChem CID56780525
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole
SMILESCc1cnn(CC2CCCN2CCCc2nc3ccccc3o2)c1
InChIInChI=1S/C19H24N4O/c1-15-12-20-23(13-15)14-16-6-4-10-22(16)11-5-9-19-21-17-7-2-3-8-18(17)24-19/h2-3,7-8,12-13,16H,4-6,9-11,14H2,1H3
InChIKeyHVGKAQQJVSLFOU-UHFFFAOYSA-N
XLogP3.43
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole (CID 56780525) is 2-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole is Cc1cnn(CC2CCCN2CCCc2nc3ccccc3o2)c1.
What is the InChIKey of 2-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole?
The InChIKey is HVGKAQQJVSLFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-12-20-23(13-15)14-16-6-4-10-22(16)11-5-9-19-21-17-7-2-3-8-18(17)24-19/h2-3,7-8,12-13,16H,4-6,9-11,14H2,1H3.
What are the key properties of 2-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole?
2-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole has a molecular weight of 324.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole is sourced from PubChem (CID 56780525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).