[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate

C11H10BrNO3 — CID 56994722

IUPAC[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate
SMILESCC(=O)OC1C=C(c2ccc(Br)cc2)NO1
InChIInChI=1S/C11H10BrNO3/c1-7(14)15-11-6-10(13-16-11)8-2-4-9(12)5-3-8/h2-6,11,13H,1H3
InChIKeySKQQODUNBWSQEA-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.21
Rot. Bonds2

About [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate

[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate (PubChem CID 56994722) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate.

Molecular Properties

Compound Name[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate
PubChem CID56994722
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate
SMILESCC(=O)OC1C=C(c2ccc(Br)cc2)NO1
InChIInChI=1S/C11H10BrNO3/c1-7(14)15-11-6-10(13-16-11)8-2-4-9(12)5-3-8/h2-6,11,13H,1H3
InChIKeySKQQODUNBWSQEA-UHFFFAOYSA-N
XLogP2.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate
CID 49831966
ethyl (Z)-3-amino-3-(4-bromophenyl)prop-2-enoate
CID 12021528
ethyl (Z)-3-amino-4-(4-bromophenyl)but-2-enoate
CID 19705368
Ethyl 3-amino-3-(4-bromophenyl)prop-2-enoate
CID 53401886
Methyl 2-[1-(4-bromophenyl)ethenylamino]oxyacetate
CID 57210391
[[2-Bromo-1-(4-bromophenyl)ethenyl]amino] acetate
CID 57293911
actinium;[(Z)-1-(4-bromophenyl)-3-methoxy-3-oxoprop-1-enyl]azanide
CID 59082654
(E)-Ethyl 3-amino-3-(4-bromophenyl)acrylate
CID 66920314
Ethyl 3-amino-4-(4-bromophenyl)but-2-enoate
CID 67664262
Methyl 3-amino-3-(4-bromophenyl)-2-propenoate
CID 72511152
Ethyl 3-amino-3-(2-bromophenyl)prop-2-enoate
CID 73083926
3-(4-Bromophenyl)-1,2-oxazol-5-ol
CID 75359333

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate?
The IUPAC name of [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate (CID 56994722) is [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate.
What is the SMILES notation for [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate?
The canonical SMILES for [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate is CC(=O)OC1C=C(c2ccc(Br)cc2)NO1.
What is the InChIKey of [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate?
The InChIKey is SKQQODUNBWSQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-7(14)15-11-6-10(13-16-11)8-2-4-9(12)5-3-8/h2-6,11,13H,1H3.
What are the key properties of [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate?
[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate has a molecular weight of 284.11 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl] acetate is sourced from PubChem (CID 56994722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).