N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide

C18H30FN3O3 — CID 128994724

IUPACN-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide
SMILESCOCCC(C)(C)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1c(C)noc1C
InChIInChI=1S/C18H30FN3O3/c1-12-16(13(2)25-21-12)11-22-10-14(19)8-15(22)9-20-17(23)18(3,4)6-7-24-5/h14-15H,6-11H2,1-5H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyBCCZYGRPVYCICV-GJZGRUSLSA-N
MW355.45 g/mol
LogP2.38
Rot. Bonds8

About N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide

N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide (PubChem CID 128994724) has the molecular formula C18H30FN3O3 and a molecular weight of 355.45 g/mol. Its IUPAC name is N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide
PubChem CID128994724
Molecular FormulaC18H30FN3O3
Molecular Weight355.45 g/mol
Exact Mass355.23
IUPAC NameN-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide
SMILESCOCCC(C)(C)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1c(C)noc1C
InChIInChI=1S/C18H30FN3O3/c1-12-16(13(2)25-21-12)11-22-10-14(19)8-15(22)9-20-17(23)18(3,4)6-7-24-5/h14-15H,6-11H2,1-5H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyBCCZYGRPVYCICV-GJZGRUSLSA-N
XLogP2.38
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide with MolForge

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Related Compounds

3,5-dimethyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-isoxazolecarboxamide
CID 2225560
[(2S,4S)-1-[(dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide
CID 45887235
N-[2-(dimethylamino)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 53518714
N-{rel-(3R,4S)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-isopropyl-3-pyrrolidinyl}-2-(methylthio)acetamide hydrochloride
CID 72864519
N'-{(3S*,4R*)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-isopropyl-3-pyrrolidinyl}-N,N-dimethylurea
CID 72875507
2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 84598270
N-cyclopentyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide
CID 110249133
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide
CID 75462036
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide
CID 47861683
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 71789161
N~1~-[(3,5-Dimethyl-4-isoxazolyl)methyl]-3-methoxypropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide?
The IUPAC name of N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide (CID 128994724) is N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide.
What is the SMILES notation for N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide?
The canonical SMILES for N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide is COCCC(C)(C)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1c(C)noc1C.
What is the InChIKey of N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide?
The InChIKey is BCCZYGRPVYCICV-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H30FN3O3/c1-12-16(13(2)25-21-12)11-22-10-14(19)8-15(22)9-20-17(23)18(3,4)6-7-24-5/h14-15H,6-11H2,1-5H3,(H,20,23)/t14-,15-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide?
N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide has a molecular weight of 355.45 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-4-methoxy-2,2-dimethylbutanamide is sourced from PubChem (CID 128994724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).