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

C15H19FN4O2S — CID 128991018

IUPACN-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)on1
InChIInChI=1S/C15H19FN4O2S/c1-10-5-13(22-18-10)15(21)19(2)8-12-6-11(16)7-20(12)9-14-17-3-4-23-14/h3-5,11-12H,6-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyKBRHYZHSRAMGQI-RYUDHWBXSA-N
MW338.41 g/mol
LogP2.12
Rot. Bonds5

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

N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide (PubChem CID 128991018) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
PubChem CID128991018
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)on1
InChIInChI=1S/C15H19FN4O2S/c1-10-5-13(22-18-10)15(21)19(2)8-12-6-11(16)7-20(12)9-14-17-3-4-23-14/h3-5,11-12H,6-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyKBRHYZHSRAMGQI-RYUDHWBXSA-N
XLogP2.12
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.12
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-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide (CID 128991018) is N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)on1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide?
The InChIKey is KBRHYZHSRAMGQI-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-10-5-13(22-18-10)15(21)19(2)8-12-6-11(16)7-20(12)9-14-17-3-4-23-14/h3-5,11-12H,6-9H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide?
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.12, 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-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 128991018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).