3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one

C15H10BrClN4O2 — CID 67034416

IUPAC3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccc(Cl)cc2)N1c1ccn2ncc(Br)c2n1
InChIInChI=1S/C15H10BrClN4O2/c16-11-7-18-20-6-5-13(19-14(11)20)21-12(8-23-15(21)22)9-1-3-10(17)4-2-9/h1-7,12H,8H2
InChIKeyRGBICKUVHWWSQS-UHFFFAOYSA-N
MW393.63 g/mol
LogP3.84
Rot. Bonds2

About 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one

3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one (PubChem CID 67034416) has the molecular formula C15H10BrClN4O2 and a molecular weight of 393.63 g/mol. Its IUPAC name is 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
PubChem CID67034416
Molecular FormulaC15H10BrClN4O2
Molecular Weight393.63 g/mol
Exact Mass391.97
IUPAC Name3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccc(Cl)cc2)N1c1ccn2ncc(Br)c2n1
InChIInChI=1S/C15H10BrClN4O2/c16-11-7-18-20-6-5-13(19-14(11)20)21-12(8-23-15(21)22)9-1-3-10(17)4-2-9/h1-7,12H,8H2
InChIKeyRGBICKUVHWWSQS-UHFFFAOYSA-N
XLogP3.84
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.63
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one
CID 67034379
(4S)-3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-propyl-1,3-oxazolidin-2-one
CID 67034378
4-[5-[(4S)-4-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid
CID 67034785
4-phenyl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
CID 67035250
4-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,11(25),17(24),18,21-heptaene-3,16-dione
CID 142338970
(6S)-4-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,11(25),17(24),18,21-heptaene-3,16-dione
CID 154592186
(4S)-4-(3-chloro-4-fluorophenyl)-3-[3-[3-fluoro-4-[2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
CID 67036089
4-(3,4-difluorophenyl)-3-[3-[3-fluoro-4-[2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
CID 67034445
9-fluoro-4-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7,9,11(26),18(25),19,22-heptaene-3,17-dione
CID 142338953
(4S)-3-(3-acetylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-fluoro-6-(3-methylbutyl)-2-pyridinyl]-1,3-oxazolidin-2-one;ethane
CID 142510716
4-(2,4-difluorophenyl)-3-[3-[3-fluoro-4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
CID 67034288
3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
CID 67036274

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one (CID 67034416) is 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one is O=C1OCC(c2ccc(Cl)cc2)N1c1ccn2ncc(Br)c2n1.
What is the InChIKey of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is RGBICKUVHWWSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN4O2/c16-11-7-18-20-6-5-13(19-14(11)20)21-12(8-23-15(21)22)9-1-3-10(17)4-2-9/h1-7,12H,8H2.
What are the key properties of 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one?
3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 393.63 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67034416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).