N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C16H19FN4O3 — CID 110124285

IUPACN-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCC1(O)CCN(c2ccc(F)cn2)C1
InChIInChI=1S/C16H19FN4O3/c1-10-14(11(2)24-20-10)15(22)19-8-16(23)5-6-21(9-16)13-4-3-12(17)7-18-13/h3-4,7,23H,5-6,8-9H2,1-2H3,(H,19,22)
InChIKeyUMIWHORVKVFHKS-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.20
Rot. Bonds4

About N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 110124285) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID110124285
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC NameN-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCC1(O)CCN(c2ccc(F)cn2)C1
InChIInChI=1S/C16H19FN4O3/c1-10-14(11(2)24-20-10)15(22)19-8-16(23)5-6-21(9-16)13-4-3-12(17)7-18-13/h3-4,7,23H,5-6,8-9H2,1-2H3,(H,19,22)
InChIKeyUMIWHORVKVFHKS-UHFFFAOYSA-N
XLogP1.20
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124968569
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 110124157
1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol
CID 175660744
5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 125010520
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 124991641
N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]methanesulfonamide
CID 125024514
1-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 124999832
2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide
CID 110124292
N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 124997223
N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide
CID 124983310
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110123523
3,5-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide
CID 37276422

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 110124285) is N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCC1(O)CCN(c2ccc(F)cn2)C1.
What is the InChIKey of N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is UMIWHORVKVFHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-10-14(11(2)24-20-10)15(22)19-8-16(23)5-6-21(9-16)13-4-3-12(17)7-18-13/h3-4,7,23H,5-6,8-9H2,1-2H3,(H,19,22).
What are the key properties of N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110124285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).