4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide

C24H25FN6O3 — CID 67516141

IUPAC4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)c(F)cn2)c(C)o1
InChIInChI=1S/C24H25FN6O3/c1-14-20(28-15(2)33-14)13-31(4)22(32)19-10-17(18(25)12-27-19)21-29-30-23(34-21)24(3,26)11-16-8-6-5-7-9-16/h5-10,12H,11,13,26H2,1-4H3/t24-/m1/s1
InChIKeyQVPJDCMNJGFJMC-XMMPIXPASA-N
MW464.50 g/mol
LogP3.56
Rot. Bonds7

About 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide

4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 67516141) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide
PubChem CID67516141
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC Name4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)c(F)cn2)c(C)o1
InChIInChI=1S/C24H25FN6O3/c1-14-20(28-15(2)33-14)13-31(4)22(32)19-10-17(18(25)12-27-19)21-29-30-23(34-21)24(3,26)11-16-8-6-5-7-9-16/h5-10,12H,11,13,26H2,1-4H3/t24-/m1/s1
InChIKeyQVPJDCMNJGFJMC-XMMPIXPASA-N
XLogP3.56
TPSA124.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide (CID 67516141) is 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide is Cc1nc(CN(C)C(=O)c2cc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)c(F)cn2)c(C)o1.
What is the InChIKey of 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is QVPJDCMNJGFJMC-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-14-20(28-15(2)33-14)13-31(4)22(32)19-10-17(18(25)12-27-19)21-29-30-23(34-21)24(3,26)11-16-8-6-5-7-9-16/h5-10,12H,11,13,26H2,1-4H3/t24-/m1/s1.
What are the key properties of 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide?
4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 67516141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).