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

C18H28FN3O3 — CID 128993903

IUPACN-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CC1(O)CCCC1
InChIInChI=1S/C18H28FN3O3/c1-12-16(13(2)25-21-12)11-22-10-14(19)7-15(22)9-20-17(23)8-18(24)5-3-4-6-18/h14-15,24H,3-11H2,1-2H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyFGVSCRIVMDBZMC-GJZGRUSLSA-N
MW353.44 g/mol
LogP2.02
Rot. Bonds6

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

N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 128993903) has the molecular formula C18H28FN3O3 and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID128993903
Molecular FormulaC18H28FN3O3
Molecular Weight353.44 g/mol
Exact Mass353.21
IUPAC NameN-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CC1(O)CCCC1
InChIInChI=1S/C18H28FN3O3/c1-12-16(13(2)25-21-12)11-22-10-14(19)7-15(22)9-20-17(23)8-18(24)5-3-4-6-18/h14-15,24H,3-11H2,1-2H3,(H,20,23)/t14-,15-/m0/s1
InChIKeyFGVSCRIVMDBZMC-GJZGRUSLSA-N
XLogP2.02
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-hydroxythiolane-3-carboxamide
CID 128993887
N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-3-propan-2-yloxypropanamide
CID 128994350
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 128993650
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)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 128993556
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
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
[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
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
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 79236291
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 154753653
1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 95211190

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]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide (CID 128993903) is N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide is Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)CC1(O)CCCC1.
What is the InChIKey of N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is FGVSCRIVMDBZMC-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H28FN3O3/c1-12-16(13(2)25-21-12)11-22-10-14(19)7-15(22)9-20-17(23)8-18(24)5-3-4-6-18/h14-15,24H,3-11H2,1-2H3,(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]-2-(1-hydroxycyclopentyl)acetamide?
N-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 353.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 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]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 128993903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).