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

C16H19FN4O3 — CID 125005591

IUPACN-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1
InChIInChI=1S/C16H19FN4O3/c1-11-14(24-10-20-11)15(22)19-8-16(23)5-2-6-21(9-16)13-4-3-12(17)7-18-13/h3-4,7,10,23H,2,5-6,8-9H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyUAJWQCRSWDGXGM-INIZCTEOSA-N
MW334.35 g/mol
LogP1.28
Rot. Bonds4

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

N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 125005591) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID125005591
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC NameN-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1
InChIInChI=1S/C16H19FN4O3/c1-11-14(24-10-20-11)15(22)19-8-16(23)5-2-6-21(9-16)13-4-3-12(17)7-18-13/h3-4,7,10,23H,2,5-6,8-9H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyUAJWQCRSWDGXGM-INIZCTEOSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 125005591) is N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC[C@@]1(O)CCCN(c2ccc(F)cn2)C1.
What is the InChIKey of N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is UAJWQCRSWDGXGM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-11-14(24-10-20-11)15(22)19-8-16(23)5-2-6-21(9-16)13-4-3-12(17)7-18-13/h3-4,7,10,23H,2,5-6,8-9H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 125005591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).