1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea

C15H18BrN3O3 — CID 48815805

IUPAC1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea
SMILESCc1nc(NC(=O)N(CCO)Cc2ccccc2Br)oc1C
InChIInChI=1S/C15H18BrN3O3/c1-10-11(2)22-14(17-10)18-15(21)19(7-8-20)9-12-5-3-4-6-13(12)16/h3-6,20H,7-9H2,1-2H3,(H,17,18,21)
InChIKeyNONQGGKNWJXMSZ-UHFFFAOYSA-N
MW368.23 g/mol
LogP3.08
Rot. Bonds5

About 1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea

1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea (PubChem CID 48815805) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea
PubChem CID48815805
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC Name1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea
SMILESCc1nc(NC(=O)N(CCO)Cc2ccccc2Br)oc1C
InChIInChI=1S/C15H18BrN3O3/c1-10-11(2)22-14(17-10)18-15(21)19(7-8-20)9-12-5-3-4-6-13(12)16/h3-6,20H,7-9H2,1-2H3,(H,17,18,21)
InChIKeyNONQGGKNWJXMSZ-UHFFFAOYSA-N
XLogP3.08
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea (CID 48815805) is 1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea is Cc1nc(NC(=O)N(CCO)Cc2ccccc2Br)oc1C.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea?
The InChIKey is NONQGGKNWJXMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-10-11(2)22-14(17-10)18-15(21)19(7-8-20)9-12-5-3-4-6-13(12)16/h3-6,20H,7-9H2,1-2H3,(H,17,18,21).
What are the key properties of 1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea?
1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea has a molecular weight of 368.23 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 48815805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).