[3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol

C18H19N3O3 — CID 56775585

IUPAC[3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(CC2(NCc3cnc4ccccc4c3)COC2)no1
InChIInChI=1S/C18H19N3O3/c22-10-16-6-15(21-24-16)7-18(11-23-12-18)20-9-13-5-14-3-1-2-4-17(14)19-8-13/h1-6,8,20,22H,7,9-12H2
InChIKeyCXRBCHHTHKQRCR-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.82
Rot. Bonds6

About [3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol

[3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol (PubChem CID 56775585) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is [3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol
PubChem CID56775585
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name[3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(CC2(NCc3cnc4ccccc4c3)COC2)no1
InChIInChI=1S/C18H19N3O3/c22-10-16-6-15(21-24-16)7-18(11-23-12-18)20-9-13-5-14-3-1-2-4-17(14)19-8-13/h1-6,8,20,22H,7,9-12H2
InChIKeyCXRBCHHTHKQRCR-UHFFFAOYSA-N
XLogP1.82
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(quinolin-3-ylmethyl)oxetan-3-amine
CID 56775535
3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(pyridin-3-ylmethyl)oxetan-3-amine
CID 56775664
1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid
CID 114203535
[3-[[3-(oxan-4-ylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol
CID 75367137
N-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
CID 56775702
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
[4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol
CID 56775612
N-[4-[[[3-[[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]methyl]phenyl]acetamide
CID 56775812
2-quinolin-3-ylethanol
CID 53403774
N-(quinolin-3-ylmethyl)aniline
CID 12573835
1-(quinolin-3-ylmethylamino)ethanol
CID 143559456
3-[(sulfinatoamino)methyl]quinoline
CID 67383747

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol (CID 56775585) is [3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol is OCc1cc(CC2(NCc3cnc4ccccc4c3)COC2)no1.
What is the InChIKey of [3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol?
The InChIKey is CXRBCHHTHKQRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-10-16-6-15(21-24-16)7-18(11-23-12-18)20-9-13-5-14-3-1-2-4-17(14)19-8-13/h1-6,8,20,22H,7,9-12H2.
What are the key properties of [3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol?
[3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol has a molecular weight of 325.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 56775585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).