N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide

C15H19FN4O3 — CID 128993768

IUPACN-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ncoc2C)on1
InChIInChI=1S/C15H19FN4O3/c1-9-3-13(23-19-9)7-20-6-11(16)4-12(20)5-17-15(21)14-10(2)22-8-18-14/h3,8,11-12H,4-7H2,1-2H3,(H,17,21)/t11-,12-/m0/s1
InChIKeyACBDPCROGQDGLW-RYUDHWBXSA-N
MW322.34 g/mol
LogP1.62
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 128993768) has the molecular formula C15H19FN4O3 and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID128993768
Molecular FormulaC15H19FN4O3
Molecular Weight322.34 g/mol
Exact Mass322.14
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ncoc2C)on1
InChIInChI=1S/C15H19FN4O3/c1-9-3-13(23-19-9)7-20-6-11(16)4-12(20)5-17-15(21)14-10(2)22-8-18-14/h3,8,11-12H,4-7H2,1-2H3,(H,17,21)/t11-,12-/m0/s1
InChIKeyACBDPCROGQDGLW-RYUDHWBXSA-N
XLogP1.62
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 128993768) is N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ncoc2C)on1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is ACBDPCROGQDGLW-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H19FN4O3/c1-9-3-13(23-19-9)7-20-6-11(16)4-12(20)5-17-15(21)14-10(2)22-8-18-14/h3,8,11-12H,4-7H2,1-2H3,(H,17,21)/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 128993768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).