2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide

C23H24FN5O4 — CID 10138967

IUPAC2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
SMILESCC(C)[C@H](NC(=O)Cn1c(-c2ccc(F)cc2)nccc1=O)C(=O)c1nnc(C2(C)CC2)o1
InChIInChI=1S/C23H24FN5O4/c1-13(2)18(19(32)21-27-28-22(33-21)23(3)9-10-23)26-16(30)12-29-17(31)8-11-25-20(29)14-4-6-15(24)7-5-14/h4-8,11,13,18H,9-10,12H2,1-3H3,(H,26,30)/t18-/m0/s1
InChIKeyNLTOHFRICWOGCX-SFHVURJKSA-N
MW453.47 g/mol
LogP2.51
Rot. Bonds8

About 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide

2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide (PubChem CID 10138967) has the molecular formula C23H24FN5O4 and a molecular weight of 453.47 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
PubChem CID10138967
Molecular FormulaC23H24FN5O4
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC Name2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
SMILESCC(C)[C@H](NC(=O)Cn1c(-c2ccc(F)cc2)nccc1=O)C(=O)c1nnc(C2(C)CC2)o1
InChIInChI=1S/C23H24FN5O4/c1-13(2)18(19(32)21-27-28-22(33-21)23(3)9-10-23)26-16(30)12-29-17(31)8-11-25-20(29)14-4-6-15(24)7-5-14/h4-8,11,13,18H,9-10,12H2,1-3H3,(H,26,30)/t18-/m0/s1
InChIKeyNLTOHFRICWOGCX-SFHVURJKSA-N
XLogP2.51
TPSA119.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide (CID 10138967) is 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide is CC(C)[C@H](NC(=O)Cn1c(-c2ccc(F)cc2)nccc1=O)C(=O)c1nnc(C2(C)CC2)o1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?
The InChIKey is NLTOHFRICWOGCX-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24FN5O4/c1-13(2)18(19(32)21-27-28-22(33-21)23(3)9-10-23)26-16(30)12-29-17(31)8-11-25-20(29)14-4-6-15(24)7-5-14/h4-8,11,13,18H,9-10,12H2,1-3H3,(H,26,30)/t18-/m0/s1.
What are the key properties of 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?
2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide has a molecular weight of 453.47 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 10138967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).