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

C15H20FN5O3 — CID 128973377

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2ccnn2C)on1
InChIInChI=1S/C15H20FN5O3/c1-20-11(3-4-18-20)9-21-8-10(16)5-12(21)7-17-15(22)13-6-14(23-2)19-24-13/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,17,22)/t10-,12-/m0/s1
InChIKeyIVSLURCOAKBFMH-JQWIXIFHSA-N
MW337.36 g/mol
LogP0.76
Rot. Bonds6

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

N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 128973377) has the molecular formula C15H20FN5O3 and a molecular weight of 337.36 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID128973377
Molecular FormulaC15H20FN5O3
Molecular Weight337.36 g/mol
Exact Mass337.16
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2ccnn2C)on1
InChIInChI=1S/C15H20FN5O3/c1-20-11(3-4-18-20)9-21-8-10(16)5-12(21)7-17-15(22)13-6-14(23-2)19-24-13/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,17,22)/t10-,12-/m0/s1
InChIKeyIVSLURCOAKBFMH-JQWIXIFHSA-N
XLogP0.76
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 50.76
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-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide (CID 128973377) is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-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-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2ccnn2C)on1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is IVSLURCOAKBFMH-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H20FN5O3/c1-20-11(3-4-18-20)9-21-8-10(16)5-12(21)7-17-15(22)13-6-14(23-2)19-24-13/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,17,22)/t10-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 0.76, 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-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 128973377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).