(4-bromophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone

C18H15BrClNO2 — CID 175764250

IUPAC(4-bromophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone
SMILESCC1=NC(C)(c2ccc(Cl)cc2)C(C(=O)c2ccc(Br)cc2)O1
InChIInChI=1S/C18H15BrClNO2/c1-11-21-18(2,13-5-9-15(20)10-6-13)17(23-11)16(22)12-3-7-14(19)8-4-12/h3-10,17H,1-2H3
InChIKeySYQWCHVNVOCHST-UHFFFAOYSA-N
MW392.68 g/mol
LogP5.02
Rot. Bonds3

About (4-bromophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone

(4-bromophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone (PubChem CID 175764250) has the molecular formula C18H15BrClNO2 and a molecular weight of 392.68 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone
PubChem CID175764250
Molecular FormulaC18H15BrClNO2
Molecular Weight392.68 g/mol
Exact Mass391.00
IUPAC Name(4-bromophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone
SMILESCC1=NC(C)(c2ccc(Cl)cc2)C(C(=O)c2ccc(Br)cc2)O1
InChIInChI=1S/C18H15BrClNO2/c1-11-21-18(2,13-5-9-15(20)10-6-13)17(23-11)16(22)12-3-7-14(19)8-4-12/h3-10,17H,1-2H3
InChIKeySYQWCHVNVOCHST-UHFFFAOYSA-N
XLogP5.02
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.68
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone (CID 175764250) is (4-bromophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone is CC1=NC(C)(c2ccc(Cl)cc2)C(C(=O)c2ccc(Br)cc2)O1.
What is the InChIKey of (4-bromophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone?
The InChIKey is SYQWCHVNVOCHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClNO2/c1-11-21-18(2,13-5-9-15(20)10-6-13)17(23-11)16(22)12-3-7-14(19)8-4-12/h3-10,17H,1-2H3.
What are the key properties of (4-bromophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone?
(4-bromophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone has a molecular weight of 392.68 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-(4-chlorophenyl)-2,4-dimethyl-5H-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 175764250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).