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

C18H25N3O2 — CID 155951941

IUPAC2-[benzyl-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1cc(C2CCNCC2)no1
InChIInChI=1S/C18H25N3O2/c22-11-10-21(13-15-4-2-1-3-5-15)14-17-12-18(20-23-17)16-6-8-19-9-7-16/h1-5,12,16,19,22H,6-11,13-14H2
InChIKeyBRQIMYQTUJJHQW-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.14
Rot. Bonds7

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

2-[benzyl-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]amino]ethanol (PubChem CID 155951941) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[benzyl-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]amino]ethanol
PubChem CID155951941
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[benzyl-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1cc(C2CCNCC2)no1
InChIInChI=1S/C18H25N3O2/c22-11-10-21(13-15-4-2-1-3-5-15)14-17-12-18(20-23-17)16-6-8-19-9-7-16/h1-5,12,16,19,22H,6-11,13-14H2
InChIKeyBRQIMYQTUJJHQW-UHFFFAOYSA-N
XLogP2.14
TPSA61.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-piperidin-4-yl-1,2-oxazol-5-yl)methanol
CID 138046457
2-[2-hydroxyethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 62021320
3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole
CID 83848363
N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 106511670
methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate
CID 163373999
2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 102676753
2-[benzyl-[[2-[(3S)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol
CID 92574750
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol
CID 166243021
N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
CID 138001161
2-[benzyl(pent-3-ynyl)amino]ethanol
CID 104748242
N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
CID 119930857

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]amino]ethanol (CID 155951941) is 2-[benzyl-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]amino]ethanol is OCCN(Cc1ccccc1)Cc1cc(C2CCNCC2)no1.
What is the InChIKey of 2-[benzyl-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]amino]ethanol?
The InChIKey is BRQIMYQTUJJHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-11-10-21(13-15-4-2-1-3-5-15)14-17-12-18(20-23-17)16-6-8-19-9-7-16/h1-5,12,16,19,22H,6-11,13-14H2.
What are the key properties of 2-[benzyl-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]amino]ethanol?
2-[benzyl-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]amino]ethanol has a molecular weight of 315.42 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 155951941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).