1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-phenylpiperidin-3-amine

C18H20N4O3S — CID 127489277

IUPAC1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-phenylpiperidin-3-amine
SMILESCc1noc2ncc(S(=O)(=O)N3CCCC(Nc4ccccc4)C3)cc12
InChIInChI=1S/C18H20N4O3S/c1-13-17-10-16(11-19-18(17)25-21-13)26(23,24)22-9-5-8-15(12-22)20-14-6-3-2-4-7-14/h2-4,6-7,10-11,15,20H,5,8-9,12H2,1H3
InChIKeyGJBFVOBISXXGDJ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.80
Rot. Bonds4

About 1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-phenylpiperidin-3-amine

1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-phenylpiperidin-3-amine (PubChem CID 127489277) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-phenylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-phenylpiperidin-3-amine
PubChem CID127489277
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-phenylpiperidin-3-amine
SMILESCc1noc2ncc(S(=O)(=O)N3CCCC(Nc4ccccc4)C3)cc12
InChIInChI=1S/C18H20N4O3S/c1-13-17-10-16(11-19-18(17)25-21-13)26(23,24)22-9-5-8-15(12-22)20-14-6-3-2-4-7-14/h2-4,6-7,10-11,15,20H,5,8-9,12H2,1H3
InChIKeyGJBFVOBISXXGDJ-UHFFFAOYSA-N
XLogP2.80
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide
CID 75533812
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-amine
CID 42521374
(3R)-1-[[(2S)-7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl]sulfonyl]-N-phenylpyrrolidin-3-amine
CID 99846519
(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine
CID 52872809
3-methyl-5-(2-methylpiperazin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine
CID 119969885
(1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol
CID 98853522
1-[4-[(3S)-3-anilinopyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 94808929
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine
CID 120875109
N-[3-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 42101555
5-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 129332574
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine
CID 133301487
N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 96580597

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-phenylpiperidin-3-amine?
The IUPAC name of 1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-phenylpiperidin-3-amine (CID 127489277) is 1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-phenylpiperidin-3-amine.
What is the SMILES notation for 1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-phenylpiperidin-3-amine?
The canonical SMILES for 1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-phenylpiperidin-3-amine is Cc1noc2ncc(S(=O)(=O)N3CCCC(Nc4ccccc4)C3)cc12.
What is the InChIKey of 1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-phenylpiperidin-3-amine?
The InChIKey is GJBFVOBISXXGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-13-17-10-16(11-19-18(17)25-21-13)26(23,24)22-9-5-8-15(12-22)20-14-6-3-2-4-7-14/h2-4,6-7,10-11,15,20H,5,8-9,12H2,1H3.
What are the key properties of 1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-phenylpiperidin-3-amine?
1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-phenylpiperidin-3-amine has a molecular weight of 372.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-phenylpiperidin-3-amine is sourced from PubChem (CID 127489277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).