1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol

C13H14F2N2O2 — CID 106371980

IUPAC1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol
SMILESCc1cnc(CNCC(O)c2ccc(F)c(F)c2)o1
InChIInChI=1S/C13H14F2N2O2/c1-8-5-17-13(19-8)7-16-6-12(18)9-2-3-10(14)11(15)4-9/h2-5,12,16,18H,6-7H2,1H3
InChIKeyOFJFNGKRZXUWPY-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.08
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol

1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol (PubChem CID 106371980) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol
PubChem CID106371980
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol
SMILESCc1cnc(CNCC(O)c2ccc(F)c(F)c2)o1
InChIInChI=1S/C13H14F2N2O2/c1-8-5-17-13(19-8)7-16-6-12(18)9-2-3-10(14)11(15)4-9/h2-5,12,16,18H,6-7H2,1H3
InChIKeyOFJFNGKRZXUWPY-UHFFFAOYSA-N
XLogP2.08
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 106371948
1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol
CID 63306680
1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
CID 114183785
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propane-1,2-diol
CID 106371905
1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82736077
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 62119737
1-(3-chloro-4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 113350594
1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60908484
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol
CID 62538794
1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
CID 107152523
1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275502

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol (CID 106371980) is 1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol is Cc1cnc(CNCC(O)c2ccc(F)c(F)c2)o1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol?
The InChIKey is OFJFNGKRZXUWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-8-5-17-13(19-8)7-16-6-12(18)9-2-3-10(14)11(15)4-9/h2-5,12,16,18H,6-7H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol?
1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol has a molecular weight of 268.26 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol is sourced from PubChem (CID 106371980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).