2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide

C24H28FN5O3 — CID 25264773

IUPAC2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide
SMILESCC(C)NC(=O)c1ccc(-c2ccc(OC3CN(Cc4nc(C(C)C)no4)C3)cn2)cc1F
InChIInChI=1S/C24H28FN5O3/c1-14(2)23-28-22(33-29-23)13-30-11-18(12-30)32-17-6-8-21(26-10-17)16-5-7-19(20(25)9-16)24(31)27-15(3)4/h5-10,14-15,18H,11-13H2,1-4H3,(H,27,31)
InChIKeyPYYFMVMKDLLRDC-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.80
Rot. Bonds8

About 2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide

2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide (PubChem CID 25264773) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is 2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide
PubChem CID25264773
Molecular FormulaC24H28FN5O3
Molecular Weight453.52 g/mol
Exact Mass453.22
IUPAC Name2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide
SMILESCC(C)NC(=O)c1ccc(-c2ccc(OC3CN(Cc4nc(C(C)C)no4)C3)cn2)cc1F
InChIInChI=1S/C24H28FN5O3/c1-14(2)23-28-22(33-29-23)13-30-11-18(12-30)32-17-6-8-21(26-10-17)16-5-7-19(20(25)9-16)24(31)27-15(3)4/h5-10,14-15,18H,11-13H2,1-4H3,(H,27,31)
InChIKeyPYYFMVMKDLLRDC-UHFFFAOYSA-N
XLogP3.80
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide (CID 25264773) is 2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide is CC(C)NC(=O)c1ccc(-c2ccc(OC3CN(Cc4nc(C(C)C)no4)C3)cn2)cc1F.
What is the InChIKey of 2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
The InChIKey is PYYFMVMKDLLRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3/c1-14(2)23-28-22(33-29-23)13-30-11-18(12-30)32-17-6-8-21(26-10-17)16-5-7-19(20(25)9-16)24(31)27-15(3)4/h5-10,14-15,18H,11-13H2,1-4H3,(H,27,31).
What are the key properties of 2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide?
2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide has a molecular weight of 453.52 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-propan-2-yl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzamide is sourced from PubChem (CID 25264773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).