(4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone

C10H8BrNO2 — CID 175204444

IUPAC(4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone
SMILESO=C(C1=NCCO1)c1ccc(Br)cc1
InChIInChI=1S/C10H8BrNO2/c11-8-3-1-7(2-4-8)9(13)10-12-5-6-14-10/h1-4H,5-6H2
InChIKeyQVUMLMNWGYUNRC-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.06
Rot. Bonds2

About (4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone

(4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone (PubChem CID 175204444) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is (4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone
PubChem CID175204444
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name(4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone
SMILESO=C(C1=NCCO1)c1ccc(Br)cc1
InChIInChI=1S/C10H8BrNO2/c11-8-3-1-7(2-4-8)9(13)10-12-5-6-14-10/h1-4H,5-6H2
InChIKeyQVUMLMNWGYUNRC-UHFFFAOYSA-N
XLogP2.06
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dihydro-1,3-oxazol-2-yl-(4-methylphenyl)methanone
CID 90815370
(4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102650842
bis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol
CID 175325803
4-bromo-N-(2-hydroxyethyl)benzamide;bis(2-(4-bromophenyl)-4,5-dihydro-1,3-oxazole);thionyl dichloride;hydrochloride
CID 162164596
(4-bromophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
CID 3325153
[5-(4-bromobenzoyl)naphthalen-1-yl]-(4-bromophenyl)methanone
CID 19777087
(4-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone
CID 107293324
(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 43629621
(4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone
CID 168527511
(4-bromophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanone
CID 121001072
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
4-bromo-N'-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzohydrazide
CID 680764

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone?
The IUPAC name of (4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone (CID 175204444) is (4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone is O=C(C1=NCCO1)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone?
The InChIKey is QVUMLMNWGYUNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c11-8-3-1-7(2-4-8)9(13)10-12-5-6-14-10/h1-4H,5-6H2.
What are the key properties of (4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone?
(4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone has a molecular weight of 254.08 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 175204444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).