N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide

C25H25FN4O6 — CID 56959559

IUPACN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide
SMILESCC[C@@H](Oc1ccc(C(=O)C2CC2)cc1)c1nc(-c2ccc(C(=O)NC(CO)C(N)=O)c(F)c2)no1
InChIInChI=1S/C25H25FN4O6/c1-2-20(35-16-8-5-14(6-9-16)21(32)13-3-4-13)25-29-23(30-36-25)15-7-10-17(18(26)11-15)24(34)28-19(12-31)22(27)33/h5-11,13,19-20,31H,2-4,12H2,1H3,(H2,27,33)(H,28,34)/t19?,20-/m1/s1
InChIKeyAXLNTAVIIPBSES-GFOWMXPYSA-N
MW496.50 g/mol
LogP2.57
Rot. Bonds11

About N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide

N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide (PubChem CID 56959559) has the molecular formula C25H25FN4O6 and a molecular weight of 496.50 g/mol. Its IUPAC name is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide
PubChem CID56959559
Molecular FormulaC25H25FN4O6
Molecular Weight496.50 g/mol
Exact Mass496.18
IUPAC NameN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide
SMILESCC[C@@H](Oc1ccc(C(=O)C2CC2)cc1)c1nc(-c2ccc(C(=O)NC(CO)C(N)=O)c(F)c2)no1
InChIInChI=1S/C25H25FN4O6/c1-2-20(35-16-8-5-14(6-9-16)21(32)13-3-4-13)25-29-23(30-36-25)15-7-10-17(18(26)11-15)24(34)28-19(12-31)22(27)33/h5-11,13,19-20,31H,2-4,12H2,1H3,(H2,27,33)(H,28,34)/t19?,20-/m1/s1
InChIKeyAXLNTAVIIPBSES-GFOWMXPYSA-N
XLogP2.57
TPSA157.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.50
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide?
The IUPAC name of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide (CID 56959559) is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide is CC[C@@H](Oc1ccc(C(=O)C2CC2)cc1)c1nc(-c2ccc(C(=O)NC(CO)C(N)=O)c(F)c2)no1.
What is the InChIKey of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide?
The InChIKey is AXLNTAVIIPBSES-GFOWMXPYSA-N. The full InChI is InChI=1S/C25H25FN4O6/c1-2-20(35-16-8-5-14(6-9-16)21(32)13-3-4-13)25-29-23(30-36-25)15-7-10-17(18(26)11-15)24(34)28-19(12-31)22(27)33/h5-11,13,19-20,31H,2-4,12H2,1H3,(H2,27,33)(H,28,34)/t19?,20-/m1/s1.
What are the key properties of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide?
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide has a molecular weight of 496.50 g/mol, XLogP of 2.57, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 56959559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).