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

C16H22FN5O3 — CID 128971971

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)on1
InChIInChI=1S/C16H22FN5O3/c1-20(16(23)14-7-15(24-3)19-25-14)9-13-6-11(17)8-22(13)10-12-4-5-18-21(12)2/h4-5,7,11,13H,6,8-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyGZNOXIZLAUVHJB-AAEUAGOBSA-N
MW351.38 g/mol
LogP1.10
Rot. Bonds6

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

N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide (PubChem CID 128971971) has the molecular formula C16H22FN5O3 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methyl-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-N-methyl-1,2-oxazole-5-carboxamide
PubChem CID128971971
Molecular FormulaC16H22FN5O3
Molecular Weight351.38 g/mol
Exact Mass351.17
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)on1
InChIInChI=1S/C16H22FN5O3/c1-20(16(23)14-7-15(24-3)19-25-14)9-13-6-11(17)8-22(13)10-12-4-5-18-21(12)2/h4-5,7,11,13H,6,8-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyGZNOXIZLAUVHJB-AAEUAGOBSA-N
XLogP1.10
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.10
H-Bond Donors ≤ 50
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-N-methyl-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-N-methyl-1,2-oxazole-5-carboxamide (CID 128971971) is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methyl-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-N-methyl-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-N-methyl-1,2-oxazole-5-carboxamide is COc1cc(C(=O)N(C)C[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-N-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is GZNOXIZLAUVHJB-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H22FN5O3/c1-20(16(23)14-7-15(24-3)19-25-14)9-13-6-11(17)8-22(13)10-12-4-5-18-21(12)2/h4-5,7,11,13H,6,8-10H2,1-3H3/t11-,13-/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-N-methyl-1,2-oxazole-5-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 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-N-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 128971971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).