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

C17H23FN4O2S — CID 128990976

IUPACN-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
SMILESCc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)c1c(C)noc1C
InChIInChI=1S/C17H23FN4O2S/c1-10-15(25-9-19-10)8-22-6-13(18)5-14(22)7-21(4)17(23)16-11(2)20-24-12(16)3/h9,13-14H,5-8H2,1-4H3/t13-,14-/m0/s1
InChIKeyWIEPRGWGNSOMLI-KBPBESRZSA-N
MW366.46 g/mol
LogP2.74
Rot. Bonds5

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

N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide (PubChem CID 128990976) has the molecular formula C17H23FN4O2S and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
PubChem CID128990976
Molecular FormulaC17H23FN4O2S
Molecular Weight366.46 g/mol
Exact Mass366.15
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
SMILESCc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)c1c(C)noc1C
InChIInChI=1S/C17H23FN4O2S/c1-10-15(25-9-19-10)8-22-6-13(18)5-14(22)7-21(4)17(23)16-11(2)20-24-12(16)3/h9,13-14H,5-8H2,1-4H3/t13-,14-/m0/s1
InChIKeyWIEPRGWGNSOMLI-KBPBESRZSA-N
XLogP2.74
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide (CID 128990976) is N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide is Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)c1c(C)noc1C.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is WIEPRGWGNSOMLI-KBPBESRZSA-N. The full InChI is InChI=1S/C17H23FN4O2S/c1-10-15(25-9-19-10)8-22-6-13(18)5-14(22)7-21(4)17(23)16-11(2)20-24-12(16)3/h9,13-14H,5-8H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 128990976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).