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

C25H24FN5O2 — CID 72700266

IUPACN-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-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)cc2)n1
InChIInChI=1S/C25H24FN5O2/c1-4-31(17(3)15-22-29-24(33-30-22)18-7-9-19(26)10-8-18)25(32)21-14-16(2)6-11-20(21)23-27-12-5-13-28-23/h5-14,17H,4,15H2,1-3H3/t17-/m0/s1
InChIKeyNOGNYOCHJGNNCS-KRWDZBQOSA-N
MW445.50 g/mol
LogP4.73
Rot. Bonds7

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

N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide (PubChem CID 72700266) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide
PubChem CID72700266
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC NameN-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-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)cc2)n1
InChIInChI=1S/C25H24FN5O2/c1-4-31(17(3)15-22-29-24(33-30-22)18-7-9-19(26)10-8-18)25(32)21-14-16(2)6-11-20(21)23-27-12-5-13-28-23/h5-14,17H,4,15H2,1-3H3/t17-/m0/s1
InChIKeyNOGNYOCHJGNNCS-KRWDZBQOSA-N
XLogP4.73
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-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-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide (CID 72700266) is N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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)cc2)n1.
What is the InChIKey of N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide?
The InChIKey is NOGNYOCHJGNNCS-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-4-31(17(3)15-22-29-24(33-30-22)18-7-9-19(26)10-8-18)25(32)21-14-16(2)6-11-20(21)23-27-12-5-13-28-23/h5-14,17H,4,15H2,1-3H3/t17-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide?
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide has a molecular weight of 445.50 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 72700266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).