2-[4-[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]-3-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C14H14F6N2O3 — CID 21314951

IUPAC2-[4-[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]-3-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCOc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N(C)C1=NCCO1
InChIInChI=1S/C14H14F6N2O3/c1-22(11-21-5-6-25-11)9-4-3-8(7-10(9)24-2)12(23,13(15,16)17)14(18,19)20/h3-4,7,23H,5-6H2,1-2H3
InChIKeyLMNUYHWYKZBXQF-UHFFFAOYSA-N
MW372.27 g/mol
LogP2.83
Rot. Bonds3

About 2-[4-[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]-3-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]-3-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 21314951) has the molecular formula C14H14F6N2O3 and a molecular weight of 372.27 g/mol. Its IUPAC name is 2-[4-[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]-3-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]-3-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID21314951
Molecular FormulaC14H14F6N2O3
Molecular Weight372.27 g/mol
Exact Mass372.09
IUPAC Name2-[4-[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]-3-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCOc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N(C)C1=NCCO1
InChIInChI=1S/C14H14F6N2O3/c1-22(11-21-5-6-25-11)9-4-3-8(7-10(9)24-2)12(23,13(15,16)17)14(18,19)20/h3-4,7,23H,5-6H2,1-2H3
InChIKeyLMNUYHWYKZBXQF-UHFFFAOYSA-N
XLogP2.83
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]-3-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]-3-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 21314951) is 2-[4-[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]-3-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]-3-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]-3-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is COc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N(C)C1=NCCO1.
What is the InChIKey of 2-[4-[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]-3-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is LMNUYHWYKZBXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F6N2O3/c1-22(11-21-5-6-25-11)9-4-3-8(7-10(9)24-2)12(23,13(15,16)17)14(18,19)20/h3-4,7,23H,5-6H2,1-2H3.
What are the key properties of 2-[4-[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]-3-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]-3-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 372.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4,5-dihydro-1,3-oxazol-2-yl(methyl)amino]-3-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 21314951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).