1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol

C15H19FN2O3 — CID 78971544

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
SMILESCc1noc(C)c1CNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O3/c1-10-15(11(2)21-18-10)8-17-7-13(19)9-20-14-5-3-12(16)4-6-14/h3-6,13,17,19H,7-9H2,1-2H3
InChIKeyJJADMKPONOQNNR-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.96
Rot. Bonds7

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 78971544) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
PubChem CID78971544
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
SMILESCc1noc(C)c1CNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O3/c1-10-15(11(2)21-18-10)8-17-7-13(19)9-20-14-5-3-12(16)4-6-14/h3-6,13,17,19H,7-9H2,1-2H3
InChIKeyJJADMKPONOQNNR-UHFFFAOYSA-N
XLogP1.96
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 78974915
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
CID 111110980
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 111104680
(2R)-1-(4-fluorophenoxy)-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 94815890
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 79242489
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 110921959
(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol
CID 79241777
1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729279
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 109480038
1-(4-fluorophenoxy)-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 114955427
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 78974816
1-cyclopentyloxy-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol
CID 78974797

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol (CID 78971544) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol is Cc1noc(C)c1CNCC(O)COc1ccc(F)cc1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is JJADMKPONOQNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10-15(11(2)21-18-10)8-17-7-13(19)9-20-14-5-3-12(16)4-6-14/h3-6,13,17,19H,7-9H2,1-2H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 294.33 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 78971544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).