3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one

C19H24N4O2 — CID 110219641

IUPAC3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
SMILESCCn1ncc(CN2CCCC(n3c(=O)oc4ccccc43)C2)c1C
InChIInChI=1S/C19H24N4O2/c1-3-22-14(2)15(11-20-22)12-21-10-6-7-16(13-21)23-17-8-4-5-9-18(17)25-19(23)24/h4-5,8-9,11,16H,3,6-7,10,12-13H2,1-2H3
InChIKeyNURMJZRHQQXONJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.96
Rot. Bonds4

About 3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one

3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one (PubChem CID 110219641) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
PubChem CID110219641
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
SMILESCCn1ncc(CN2CCCC(n3c(=O)oc4ccccc43)C2)c1C
InChIInChI=1S/C19H24N4O2/c1-3-22-14(2)15(11-20-22)12-21-10-6-7-16(13-21)23-17-8-4-5-9-18(17)25-19(23)24/h4-5,8-9,11,16H,3,6-7,10,12-13H2,1-2H3
InChIKeyNURMJZRHQQXONJ-UHFFFAOYSA-N
XLogP2.96
TPSA56.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one (CID 110219641) is 3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one is CCn1ncc(CN2CCCC(n3c(=O)oc4ccccc43)C2)c1C.
What is the InChIKey of 3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?
The InChIKey is NURMJZRHQQXONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-22-14(2)15(11-20-22)12-21-10-6-7-16(13-21)23-17-8-4-5-9-18(17)25-19(23)24/h4-5,8-9,11,16H,3,6-7,10,12-13H2,1-2H3.
What are the key properties of 3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?
3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one has a molecular weight of 340.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 110219641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).