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

C17H28FN3O3 — CID 128994350

IUPACN-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-propan-2-yloxypropanamide
SMILESCc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CCOC(C)C
InChIInChI=1S/C17H28FN3O3/c1-11(2)23-6-5-17(22)19-8-15-7-14(18)9-21(15)10-16-12(3)20-24-13(16)4/h11,14-15H,5-10H2,1-4H3,(H,19,22)/t14-,15-/m0/s1
InChIKeyYKJXIXMREYVPNA-GJZGRUSLSA-N
MW341.43 g/mol
LogP2.14
Rot. Bonds8

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

N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-propan-2-yloxypropanamide (PubChem CID 128994350) has the molecular formula C17H28FN3O3 and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-propan-2-yloxypropanamide
PubChem CID128994350
Molecular FormulaC17H28FN3O3
Molecular Weight341.43 g/mol
Exact Mass341.21
IUPAC NameN-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-propan-2-yloxypropanamide
SMILESCc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CCOC(C)C
InChIInChI=1S/C17H28FN3O3/c1-11(2)23-6-5-17(22)19-8-15-7-14(18)9-21(15)10-16-12(3)20-24-13(16)4/h11,14-15H,5-10H2,1-4H3,(H,19,22)/t14-,15-/m0/s1
InChIKeyYKJXIXMREYVPNA-GJZGRUSLSA-N
XLogP2.14
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.14
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]-3-propan-2-yloxypropanamide with MolForge

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Related Compounds

N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide
CID 128991326
N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 128993903
2-cyclopent-2-en-1-yl-N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]acetamide
CID 128994494
N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 154737127
[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxythiolane-3-carboxamide
CID 128993887
ethyl 4-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 167753747
2-[(2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(cyclopropylmethyl)acetamide
CID 97484189
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 35365201
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 91836065
(2R)-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129332335
N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide
CID 128991690

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]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-propan-2-yloxypropanamide (CID 128994350) is N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-propan-2-yloxypropanamide is Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CCOC(C)C.
What is the InChIKey of N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-propan-2-yloxypropanamide?
The InChIKey is YKJXIXMREYVPNA-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H28FN3O3/c1-11(2)23-6-5-17(22)19-8-15-7-14(18)9-21(15)10-16-12(3)20-24-13(16)4/h11,14-15H,5-10H2,1-4H3,(H,19,22)/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]-3-propan-2-yloxypropanamide?
N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-propan-2-yloxypropanamide has a molecular weight of 341.43 g/mol, XLogP of 2.14, 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]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 128994350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).