2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol

C17H24N4O2 — CID 146040722

IUPAC2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol
SMILESCN(Cc1cc(-c2cccnc2)no1)CC(O)C1CCNCC1
InChIInChI=1S/C17H24N4O2/c1-21(12-17(22)13-4-7-18-8-5-13)11-15-9-16(20-23-15)14-3-2-6-19-10-14/h2-3,6,9-10,13,17-18,22H,4-5,7-8,11-12H2,1H3
InChIKeyPSOMYCDEQKNIDZ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.53
Rot. Bonds6

About 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol

2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol (PubChem CID 146040722) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol
PubChem CID146040722
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol
SMILESCN(Cc1cc(-c2cccnc2)no1)CC(O)C1CCNCC1
InChIInChI=1S/C17H24N4O2/c1-21(12-17(22)13-4-7-18-8-5-13)11-15-9-16(20-23-15)14-3-2-6-19-10-14/h2-3,6,9-10,13,17-18,22H,4-5,7-8,11-12H2,1H3
InChIKeyPSOMYCDEQKNIDZ-UHFFFAOYSA-N
XLogP1.53
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 171908814
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 70724833
N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56903821
(3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95880976
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine
CID 56898566
ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
CID 143675921
1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanol
CID 44605540
(4aR,6R,7aR)-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one
CID 135103862
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 131944626
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
(3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine
CID 124752820
(3S)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine
CID 124752821

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol?
The IUPAC name of 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol (CID 146040722) is 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol.
What is the SMILES notation for 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol?
The canonical SMILES for 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol is CN(Cc1cc(-c2cccnc2)no1)CC(O)C1CCNCC1.
What is the InChIKey of 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol?
The InChIKey is PSOMYCDEQKNIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-21(12-17(22)13-4-7-18-8-5-13)11-15-9-16(20-23-15)14-3-2-6-19-10-14/h2-3,6,9-10,13,17-18,22H,4-5,7-8,11-12H2,1H3.
What are the key properties of 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol?
2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol has a molecular weight of 316.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-1-piperidin-4-ylethanol is sourced from PubChem (CID 146040722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).