5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol

C16H13BrF2N2O3 — CID 162557304

IUPAC5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol
SMILESNC1=NC(c2cccc(Br)c2)(c2ccc(OC(F)F)c(O)c2)CO1
InChIInChI=1S/C16H13BrF2N2O3/c17-11-3-1-2-9(6-11)16(8-23-15(20)21-16)10-4-5-13(12(22)7-10)24-14(18)19/h1-7,14,22H,8H2,(H2,20,21)
InChIKeyGQCSQRCOLJPZPT-UHFFFAOYSA-N
MW399.19 g/mol
LogP3.34
Rot. Bonds4

About 5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol

5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol (PubChem CID 162557304) has the molecular formula C16H13BrF2N2O3 and a molecular weight of 399.19 g/mol. Its IUPAC name is 5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol.

Molecular Properties

Compound Name5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol
PubChem CID162557304
Molecular FormulaC16H13BrF2N2O3
Molecular Weight399.19 g/mol
Exact Mass398.01
IUPAC Name5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol
SMILESNC1=NC(c2cccc(Br)c2)(c2ccc(OC(F)F)c(O)c2)CO1
InChIInChI=1S/C16H13BrF2N2O3/c17-11-3-1-2-9(6-11)16(8-23-15(20)21-16)10-4-5-13(12(22)7-10)24-14(18)19/h1-7,14,22H,8H2,(H2,20,21)
InChIKeyGQCSQRCOLJPZPT-UHFFFAOYSA-N
XLogP3.34
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.19
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromophenyl)-4-[3-chloro-4-(difluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine;1-[3-chloro-4-(difluoromethoxy)phenyl]ethanone
CID 87365411
(4S)-4-(3-bromophenyl)-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-oxazol-2-amine
CID 67346654
4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrazin-2-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67345684
(4S)-4-[3-(6-chloropyrazin-2-yl)phenyl]-4-[4-(difluoromethoxy)-3-methylphenyl]-5H-1,3-oxazol-2-amine
CID 87365954
[4-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]phenyl] methanesulfonate;[4-[1-(3-bromophenyl)ethenyl]phenyl] methanesulfonate
CID 87520462
3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine
CID 141243091
CID 89180418
CID 89180418
(4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine
CID 67348182
4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol
CID 143850366
4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67349260
(4S)-4-[3-(2-fluoro-3-pyridinyl)phenyl]-4-(4-propan-2-yloxyphenyl)-5H-1,3-oxazol-2-amine
CID 67349588
2-[4-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]phenoxy]ethanol;2-[2-[4-[1-(3-bromophenyl)ethenyl]phenoxy]ethoxy]oxane
CID 161248107

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol?
The IUPAC name of 5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol (CID 162557304) is 5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol.
What is the SMILES notation for 5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol?
The canonical SMILES for 5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol is NC1=NC(c2cccc(Br)c2)(c2ccc(OC(F)F)c(O)c2)CO1.
What is the InChIKey of 5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol?
The InChIKey is GQCSQRCOLJPZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2N2O3/c17-11-3-1-2-9(6-11)16(8-23-15(20)21-16)10-4-5-13(12(22)7-10)24-14(18)19/h1-7,14,22H,8H2,(H2,20,21).
What are the key properties of 5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol?
5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol has a molecular weight of 399.19 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-4-(3-bromophenyl)-5H-1,3-oxazol-4-yl]-2-(difluoromethoxy)phenol is sourced from PubChem (CID 162557304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).