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

C14H18FN5O3 — CID 128969950

IUPACN-[[(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
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ncoc2C)no1
InChIInChI=1S/C14H18FN5O3/c1-8-13(17-7-22-8)14(21)16-4-11-3-10(15)5-20(11)6-12-18-9(2)23-19-12/h7,10-11H,3-6H2,1-2H3,(H,16,21)/t10-,11-/m0/s1
InChIKeyBJRFRNMMGWMWEW-QWRGUYRKSA-N
MW323.33 g/mol
LogP1.02
Rot. Bonds5

About 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

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 (PubChem CID 128969950) has the molecular formula C14H18FN5O3 and a molecular weight of 323.33 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]-5-methyl-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]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID128969950
Molecular FormulaC14H18FN5O3
Molecular Weight323.33 g/mol
Exact Mass323.14
IUPAC NameN-[[(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
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ncoc2C)no1
InChIInChI=1S/C14H18FN5O3/c1-8-13(17-7-22-8)14(21)16-4-11-3-10(15)5-20(11)6-12-18-9(2)23-19-12/h7,10-11H,3-6H2,1-2H3,(H,16,21)/t10-,11-/m0/s1
InChIKeyBJRFRNMMGWMWEW-QWRGUYRKSA-N
XLogP1.02
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 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
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 128974804
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
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 138034916
5-methyl-N-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-4-carboxamide
CID 75390634
N-[1-(3-isobutyl-1,2,4-oxadiazol-5-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 77084489
5-(4-Methyl-1,3-oxazol-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 81618553
(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779250
(5-ethyl-1,3-oxazol-4-yl)-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779251

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]-5-methyl-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]-5-methyl-1,3-oxazole-4-carboxamide (CID 128969950) is 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.
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]-5-methyl-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]-5-methyl-1,3-oxazole-4-carboxamide is Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=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]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is BJRFRNMMGWMWEW-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H18FN5O3/c1-8-13(17-7-22-8)14(21)16-4-11-3-10(15)5-20(11)6-12-18-9(2)23-19-12/h7,10-11H,3-6H2,1-2H3,(H,16,21)/t10-,11-/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]-5-methyl-1,3-oxazole-4-carboxamide?
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 has a molecular weight of 323.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 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]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 128969950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).