1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea

C10H10BrN3O3 — CID 85468724

IUPAC1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea
SMILESO=C(Nc1cccc(Br)c1)NN1CCOC1=O
InChIInChI=1S/C10H10BrN3O3/c11-7-2-1-3-8(6-7)12-9(15)13-14-4-5-17-10(14)16/h1-3,6H,4-5H2,(H2,12,13,15)
InChIKeyDIZALYWQBWTOSF-UHFFFAOYSA-N
MW300.11 g/mol
LogP1.94
Rot. Bonds2

About 1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea

1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea (PubChem CID 85468724) has the molecular formula C10H10BrN3O3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea
PubChem CID85468724
Molecular FormulaC10H10BrN3O3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea
SMILESO=C(Nc1cccc(Br)c1)NN1CCOC1=O
InChIInChI=1S/C10H10BrN3O3/c11-7-2-1-3-8(6-7)12-9(15)13-14-4-5-17-10(14)16/h1-3,6H,4-5H2,(H2,12,13,15)
InChIKeyDIZALYWQBWTOSF-UHFFFAOYSA-N
XLogP1.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866595
N-(3-methylphenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 71675462
N-[(3-bromophenyl)carbamoyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 22647718
3-[(3S)-3-(3-bromoanilino)-4,4,4-trifluorobutanoyl]-1,3-oxazolidin-2-one
CID 122381558
N-(3-bromophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 108986017
N-(3-bromophenyl)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 108987680
N-(3-bromophenyl)-2-(morpholin-4-ylamino)acetamide
CID 83021926
N-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 57299740
N-(3-bromophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
CID 108950076
N-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
CID 172876253
1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622073
N-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 134157564

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea?
The IUPAC name of 1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea (CID 85468724) is 1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea?
The canonical SMILES for 1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea is O=C(Nc1cccc(Br)c1)NN1CCOC1=O.
What is the InChIKey of 1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea?
The InChIKey is DIZALYWQBWTOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3/c11-7-2-1-3-8(6-7)12-9(15)13-14-4-5-17-10(14)16/h1-3,6H,4-5H2,(H2,12,13,15).
What are the key properties of 1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea?
1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea has a molecular weight of 300.11 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)urea is sourced from PubChem (CID 85468724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).