3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol

C18H20N2O2S — CID 111489158

IUPAC3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
SMILESCN(Cc1ncc(-c2cccs2)o1)C(CCO)c1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-20(15(9-10-21)14-6-3-2-4-7-14)13-18-19-12-16(22-18)17-8-5-11-23-17/h2-8,11-12,15,21H,9-10,13H2,1H3
InChIKeyYFCKVWWMVHVGOA-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.96
Rot. Bonds7

About 3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol

3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol (PubChem CID 111489158) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
PubChem CID111489158
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
SMILESCN(Cc1ncc(-c2cccs2)o1)C(CCO)c1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-20(15(9-10-21)14-6-3-2-4-7-14)13-18-19-12-16(22-18)17-8-5-11-23-17/h2-8,11-12,15,21H,9-10,13H2,1H3
InChIKeyYFCKVWWMVHVGOA-UHFFFAOYSA-N
XLogP3.96
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970
N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine
CID 75435406
4-[cyclopropyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]butan-1-ol
CID 111457014
(3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519445
(3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97256570
(3S)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519444
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489104
(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97159613
3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol
CID 111489135
3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol
CID 110009129
(1S)-N-methyl-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 97328803
2-[[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 97240829

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol?
The IUPAC name of 3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol (CID 111489158) is 3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol is CN(Cc1ncc(-c2cccs2)o1)C(CCO)c1ccccc1.
What is the InChIKey of 3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol?
The InChIKey is YFCKVWWMVHVGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-20(15(9-10-21)14-6-3-2-4-7-14)13-18-19-12-16(22-18)17-8-5-11-23-17/h2-8,11-12,15,21H,9-10,13H2,1H3.
What are the key properties of 3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol?
3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol has a molecular weight of 328.44 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 111489158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).