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

C15H19FN4O4 — CID 128994424

IUPACN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnoc2C)on1
InChIInChI=1S/C15H19FN4O4/c1-9-10(5-18-23-9)7-20-8-11(16)3-12(20)6-17-15(21)13-4-14(22-2)19-24-13/h4-5,11-12H,3,6-8H2,1-2H3,(H,17,21)/t11-,12-/m0/s1
InChIKeyRIBHEWOFODPCDD-RYUDHWBXSA-N
MW338.34 g/mol
LogP1.32
Rot. Bonds6

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

N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 128994424) has the molecular formula C15H19FN4O4 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID128994424
Molecular FormulaC15H19FN4O4
Molecular Weight338.34 g/mol
Exact Mass338.14
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnoc2C)on1
InChIInChI=1S/C15H19FN4O4/c1-9-10(5-18-23-9)7-20-8-11(16)3-12(20)6-17-15(21)13-4-14(22-2)19-24-13/h4-5,11-12H,3,6-8H2,1-2H3,(H,17,21)/t11-,12-/m0/s1
InChIKeyRIBHEWOFODPCDD-RYUDHWBXSA-N
XLogP1.32
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide (CID 128994424) is N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnoc2C)on1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is RIBHEWOFODPCDD-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H19FN4O4/c1-9-10(5-18-23-9)7-20-8-11(16)3-12(20)6-17-15(21)13-4-14(22-2)19-24-13/h4-5,11-12H,3,6-8H2,1-2H3,(H,17,21)/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 128994424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).