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

C16H22FN5O3 — CID 128994191

IUPACN-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-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)CN2Cc2cnn(C)c2)on1
InChIInChI=1S/C16H22FN5O3/c1-20(16(23)14-5-15(24-3)19-25-14)10-13-4-12(17)9-22(13)8-11-6-18-21(2)7-11/h5-7,12-13H,4,8-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyBZWHRGYNFLVRFT-STQMWFEESA-N
MW351.38 g/mol
LogP1.10
Rot. Bonds6

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

N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide (PubChem CID 128994191) has the molecular formula C16H22FN5O3 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide
PubChem CID128994191
Molecular FormulaC16H22FN5O3
Molecular Weight351.38 g/mol
Exact Mass351.17
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-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)CN2Cc2cnn(C)c2)on1
InChIInChI=1S/C16H22FN5O3/c1-20(16(23)14-5-15(24-3)19-25-14)10-13-4-12(17)9-22(13)8-11-6-18-21(2)7-11/h5-7,12-13H,4,8-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyBZWHRGYNFLVRFT-STQMWFEESA-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-[(1-methylpyrazol-4-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-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide (CID 128994191) is N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-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-[(1-methylpyrazol-4-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-[(1-methylpyrazol-4-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)CN2Cc2cnn(C)c2)on1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is BZWHRGYNFLVRFT-STQMWFEESA-N. The full InChI is InChI=1S/C16H22FN5O3/c1-20(16(23)14-5-15(24-3)19-25-14)10-13-4-12(17)9-22(13)8-11-6-18-21(2)7-11/h5-7,12-13H,4,8-10H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-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-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 128994191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).