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

C14H18FN5O3 — CID 128990957

IUPACN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)no1
InChIInChI=1S/C14H18FN5O3/c1-8-4-12(18-23-8)13(21)19(3)7-11-5-10(15)6-20(11)14-17-16-9(2)22-14/h4,10-11H,5-7H2,1-3H3/t10-,11-/m0/s1
InChIKeyQPADLCBVWOEPPJ-QWRGUYRKSA-N
MW323.33 g/mol
LogP1.36
Rot. Bonds4

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

N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 128990957) 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-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID128990957
Molecular FormulaC14H18FN5O3
Molecular Weight323.33 g/mol
Exact Mass323.14
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)no1
InChIInChI=1S/C14H18FN5O3/c1-8-4-12(18-23-8)13(21)19(3)7-11-5-10(15)6-20(11)14-17-16-9(2)22-14/h4,10-11H,5-7H2,1-3H3/t10-,11-/m0/s1
InChIKeyQPADLCBVWOEPPJ-QWRGUYRKSA-N
XLogP1.36
TPSA88.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(4-methyl-1,2-oxazol-3-yl)urea
CID 128991400
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N-methyl-2-[(2S)-oxan-2-yl]acetamide
CID 129335827
1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
CID 154753634
[4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methanamine;dihydrochloride
CID 122199283
1-(2-ethoxyethyl)-3-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]urea
CID 128974797
1-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-3-(3-methylsulfanylpropyl)urea
CID 128974906
N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 130615848
N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 106441445
N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 66156018
N,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128984975
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-3-phenylprop-2-en-1-amine
CID 154753626
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 20586201

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 128990957) is N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)no1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is QPADLCBVWOEPPJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H18FN5O3/c1-8-4-12(18-23-8)13(21)19(3)7-11-5-10(15)6-20(11)14-17-16-9(2)22-14/h4,10-11H,5-7H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-[[(2S,4S)-4-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 1.36, 4 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-1,3,4-oxadiazol-2-yl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 128990957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).