[2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone

C20H21FN4O2 — CID 46972202

IUPAC[2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone
SMILESCN(C)c1cc(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)ccn1
InChIInChI=1S/C20H21FN4O2/c1-24(2)18-11-14(5-8-22-18)20(26)25-9-6-13(7-10-25)19-16-4-3-15(21)12-17(16)27-23-19/h3-5,8,11-13H,6-7,9-10H2,1-2H3
InChIKeySWCBQTBTUFXZRP-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.45
Rot. Bonds3

About [2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone

[2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone (PubChem CID 46972202) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is [2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone
PubChem CID46972202
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name[2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone
SMILESCN(C)c1cc(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)ccn1
InChIInChI=1S/C20H21FN4O2/c1-24(2)18-11-14(5-8-22-18)20(26)25-9-6-13(7-10-25)19-16-4-3-15(21)12-17(16)27-23-19/h3-5,8,11-13H,6-7,9-10H2,1-2H3
InChIKeySWCBQTBTUFXZRP-UHFFFAOYSA-N
XLogP3.45
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

N-(4-methyl-3-(3-(piperidin-4-yl)benzo[d]isoxazol-6-yl)phenyl)-2-(pyrrolidin-1-yl)isonicotinamide
CID 44580077
N-[1-[4-(3-amino-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 11525664
N-(4-methyl-3-(3-methylbenzo[d]isoxazol-5-yl)phenyl)-2-(pyrrolidin-1-yl)isonicotinamide
CID 44580730
3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
CID 71544317
5-fluoro-3-(1-(6-(1-methyl-1 H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)benzo[d]isoxazole
CID 71585294
N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide
CID 155813831
US10745401, Example 4
CID 146344053
US10745401, Example 119
CID 146344657
3-phenyl-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971416
3-[3-(5-{[(1S)-1-phenylethyl]amino}pyrido[4,3-d][1,2]oxazol-3-yl)piperidin-1-yl]propanamide
CID 24971428
2-(1,2-benzisoxazol-3-yl)-N-(2-pyridinyl)acetamide
CID 1235386
(5-Methyl-3-phenylisoxazol-4-yl){4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}methanone
CID 2741611

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone (CID 46972202) is [2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone is CN(C)c1cc(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)ccn1.
What is the InChIKey of [2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is SWCBQTBTUFXZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-24(2)18-11-14(5-8-22-18)20(26)25-9-6-13(7-10-25)19-16-4-3-15(21)12-17(16)27-23-19/h3-5,8,11-13H,6-7,9-10H2,1-2H3.
What are the key properties of [2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone?
[2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 368.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46972202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).