N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide

C24H23FN6O2 — CID 72700698

IUPACN-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide
SMILESCCN(C(=O)c1cc(C)ccc1-c1ncccn1)[C@@H](C)Cc1noc(-c2ccc(F)cn2)n1
InChIInChI=1S/C24H23FN6O2/c1-4-31(16(3)13-21-29-23(33-30-21)20-9-7-17(25)14-28-20)24(32)19-12-15(2)6-8-18(19)22-26-10-5-11-27-22/h5-12,14,16H,4,13H2,1-3H3/t16-/m0/s1
InChIKeyZYKKWUHUHNTMCV-INIZCTEOSA-N
MW446.49 g/mol
LogP4.13
Rot. Bonds7

About N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide

N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide (PubChem CID 72700698) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide
PubChem CID72700698
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC NameN-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide
SMILESCCN(C(=O)c1cc(C)ccc1-c1ncccn1)[C@@H](C)Cc1noc(-c2ccc(F)cn2)n1
InChIInChI=1S/C24H23FN6O2/c1-4-31(16(3)13-21-29-23(33-30-21)20-9-7-17(25)14-28-20)24(32)19-12-15(2)6-8-18(19)22-26-10-5-11-27-22/h5-12,14,16H,4,13H2,1-3H3/t16-/m0/s1
InChIKeyZYKKWUHUHNTMCV-INIZCTEOSA-N
XLogP4.13
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide?
The IUPAC name of N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide (CID 72700698) is N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide is CCN(C(=O)c1cc(C)ccc1-c1ncccn1)[C@@H](C)Cc1noc(-c2ccc(F)cn2)n1.
What is the InChIKey of N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide?
The InChIKey is ZYKKWUHUHNTMCV-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-4-31(16(3)13-21-29-23(33-30-21)20-9-7-17(25)14-28-20)24(32)19-12-15(2)6-8-18(19)22-26-10-5-11-27-22/h5-12,14,16H,4,13H2,1-3H3/t16-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide?
N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide has a molecular weight of 446.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 72700698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).