1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol

C15H19FN2O3 — CID 62016142

IUPAC1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H19FN2O3/c1-18(8-13(19)10-20-2)9-15-17-7-14(21-15)11-3-5-12(16)6-4-11/h3-7,13,19H,8-10H2,1-2H3
InChIKeyVWVPUPGNJXSZLU-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.92
Rot. Bonds7

About 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol

1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol (PubChem CID 62016142) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol
PubChem CID62016142
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H19FN2O3/c1-18(8-13(19)10-20-2)9-15-17-7-14(21-15)11-3-5-12(16)6-4-11/h3-7,13,19H,8-10H2,1-2H3
InChIKeyVWVPUPGNJXSZLU-UHFFFAOYSA-N
XLogP1.92
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate
CID 62012661
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62015365
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115637995
(2S)-1-[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-methoxypropan-2-ol
CID 100857627
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9040276
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62016169
2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60686062
2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60689589
1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol
CID 55046573
3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119911544
N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 112815161

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol (CID 62016142) is 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)Cc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol?
The InChIKey is VWVPUPGNJXSZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-18(8-13(19)10-20-2)9-15-17-7-14(21-15)11-3-5-12(16)6-4-11/h3-7,13,19H,8-10H2,1-2H3.
What are the key properties of 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol?
1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol has a molecular weight of 294.33 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 62016142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).