1-[1-(4-bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea

C15H19BrN4O3 — CID 166374588

IUPAC1-[1-(4-bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea
SMILESCc1nonc1CNC(=O)NC(C)(CO)Cc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN4O3/c1-10-13(20-23-19-10)8-17-14(22)18-15(2,9-21)7-11-3-5-12(16)6-4-11/h3-6,21H,7-9H2,1-2H3,(H2,17,18,22)
InChIKeyZTTPGYHAWDDGAK-UHFFFAOYSA-N
MW383.25 g/mol
LogP1.93
Rot. Bonds6

About 1-[1-(4-bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea

1-[1-(4-bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea (PubChem CID 166374588) has the molecular formula C15H19BrN4O3 and a molecular weight of 383.25 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea
PubChem CID166374588
Molecular FormulaC15H19BrN4O3
Molecular Weight383.25 g/mol
Exact Mass382.06
IUPAC Name1-[1-(4-bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea
SMILESCc1nonc1CNC(=O)NC(C)(CO)Cc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN4O3/c1-10-13(20-23-19-10)8-17-14(22)18-15(2,9-21)7-11-3-5-12(16)6-4-11/h3-6,21H,7-9H2,1-2H3,(H2,17,18,22)
InChIKeyZTTPGYHAWDDGAK-UHFFFAOYSA-N
XLogP1.93
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-[1-(4-bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea (CID 166374588) is 1-[1-(4-bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[1-(4-bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-[1-(4-bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea is Cc1nonc1CNC(=O)NC(C)(CO)Cc1ccc(Br)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea?
The InChIKey is ZTTPGYHAWDDGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O3/c1-10-13(20-23-19-10)8-17-14(22)18-15(2,9-21)7-11-3-5-12(16)6-4-11/h3-6,21H,7-9H2,1-2H3,(H2,17,18,22).
What are the key properties of 1-[1-(4-bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea?
1-[1-(4-bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea has a molecular weight of 383.25 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 166374588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).