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

C15H20FN5O3 — CID 128990583

IUPACN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2ncoc2C)no1
InChIInChI=1S/C15H20FN5O3/c1-9-14(17-8-23-9)15(22)20(3)6-12-4-11(16)5-21(12)7-13-18-10(2)24-19-13/h8,11-12H,4-7H2,1-3H3/t11-,12-/m0/s1
InChIKeyJUQOLQQQSLJJSH-RYUDHWBXSA-N
MW337.36 g/mol
LogP1.36
Rot. Bonds5

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

N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 128990583) has the molecular formula C15H20FN5O3 and a molecular weight of 337.36 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
PubChem CID128990583
Molecular FormulaC15H20FN5O3
Molecular Weight337.36 g/mol
Exact Mass337.16
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2ncoc2C)no1
InChIInChI=1S/C15H20FN5O3/c1-9-14(17-8-23-9)15(22)20(3)6-12-4-11(16)5-21(12)7-13-18-10(2)24-19-13/h8,11-12H,4-7H2,1-3H3/t11-,12-/m0/s1
InChIKeyJUQOLQQQSLJJSH-RYUDHWBXSA-N
XLogP1.36
TPSA88.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

[2-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 72123563
(5-Ethyl-1,3-oxazol-4-yl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 72123616
[2-(5-Ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 72123726
(5-Ethyl-1,3-oxazol-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 72123882
[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110203115
[2-(3-Cyclopropyl-1,2,4-oxadiazol-5-YL)-4,4-difluoro-1-pyrrolidinyl](4-methyl-1,3-oxazol-5-YL)methanone
CID 110203144
5-[4,4-Difluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-2-YL]-3-methyl-1,2,4-oxadiazole
CID 110203148
{(2S)-4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-1-yl}(4-methyl-1,3-oxazol-5-yl)methanone
CID 110203184
5-[4,4-Difluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)pyrrolidin-2-YL]-3-ethyl-1,2,4-oxadiazole
CID 110203230
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 128969950
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 128995188
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 138034916

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide (CID 128990583) is N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide is Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2ncoc2C)no1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is JUQOLQQQSLJJSH-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H20FN5O3/c1-9-14(17-8-23-9)15(22)20(3)6-12-4-11(16)5-21(12)7-13-18-10(2)24-19-13/h8,11-12H,4-7H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 1.36, 5 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-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 128990583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).