3-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea

C17H20BrN3O2 — CID 155009689

IUPAC3-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea
SMILESCc1noc(-c2ccc(Br)cc2)c1NC(=O)N(C)C1CCCC1
InChIInChI=1S/C17H20BrN3O2/c1-11-15(19-17(22)21(2)14-5-3-4-6-14)16(23-20-11)12-7-9-13(18)10-8-12/h7-10,14H,3-6H2,1-2H3,(H,19,22)
InChIKeyOMOAXMQCYCEZFK-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.82
Rot. Bonds3

About 3-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea

3-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea (PubChem CID 155009689) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea
PubChem CID155009689
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC Name3-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea
SMILESCc1noc(-c2ccc(Br)cc2)c1NC(=O)N(C)C1CCCC1
InChIInChI=1S/C17H20BrN3O2/c1-11-15(19-17(22)21(2)14-5-3-4-6-14)16(23-20-11)12-7-9-13(18)10-8-12/h7-10,14H,3-6H2,1-2H3,(H,19,22)
InChIKeyOMOAXMQCYCEZFK-UHFFFAOYSA-N
XLogP4.82
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea?
The IUPAC name of 3-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea (CID 155009689) is 3-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea.
What is the SMILES notation for 3-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea?
The canonical SMILES for 3-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea is Cc1noc(-c2ccc(Br)cc2)c1NC(=O)N(C)C1CCCC1.
What is the InChIKey of 3-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea?
The InChIKey is OMOAXMQCYCEZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c1-11-15(19-17(22)21(2)14-5-3-4-6-14)16(23-20-11)12-7-9-13(18)10-8-12/h7-10,14H,3-6H2,1-2H3,(H,19,22).
What are the key properties of 3-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea?
3-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea has a molecular weight of 378.27 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea is sourced from PubChem (CID 155009689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).