N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide

C19H32N4O2 — CID 128690020

IUPACN-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide
SMILESCC(C)C1CN(C(=O)NC2CCOC(c3ccnn3C)C2)C1C(C)C
InChIInChI=1S/C19H32N4O2/c1-12(2)15-11-23(18(15)13(3)4)19(24)21-14-7-9-25-17(10-14)16-6-8-20-22(16)5/h6,8,12-15,17-18H,7,9-11H2,1-5H3,(H,21,24)
InChIKeyQGGJEKNENHGAPP-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.96
Rot. Bonds4

About N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide

N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide (PubChem CID 128690020) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide
PubChem CID128690020
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide
SMILESCC(C)C1CN(C(=O)NC2CCOC(c3ccnn3C)C2)C1C(C)C
InChIInChI=1S/C19H32N4O2/c1-12(2)15-11-23(18(15)13(3)4)19(24)21-14-7-9-25-17(10-14)16-6-8-20-22(16)5/h6,8,12-15,17-18H,7,9-11H2,1-5H3,(H,21,24)
InChIKeyQGGJEKNENHGAPP-UHFFFAOYSA-N
XLogP2.96
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide (CID 128690020) is N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide is CC(C)C1CN(C(=O)NC2CCOC(c3ccnn3C)C2)C1C(C)C.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide?
The InChIKey is QGGJEKNENHGAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-12(2)15-11-23(18(15)13(3)4)19(24)21-14-7-9-25-17(10-14)16-6-8-20-22(16)5/h6,8,12-15,17-18H,7,9-11H2,1-5H3,(H,21,24).
What are the key properties of N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide?
N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 128690020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).