(4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one

C17H22BrNO3 — CID 139597686

IUPAC(4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one
SMILESCCCCC(=O)N1C(c2ccc(Br)cc2)OC(=O)[C@@H]1C(C)C
InChIInChI=1S/C17H22BrNO3/c1-4-5-6-14(20)19-15(11(2)3)17(21)22-16(19)12-7-9-13(18)10-8-12/h7-11,15-16H,4-6H2,1-3H3/t15-,16?/m0/s1
InChIKeyWOAMFBOLOWOMMK-VYRBHSGPSA-N
MW368.27 g/mol
LogP4.05
Rot. Bonds5

About (4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one

(4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one (PubChem CID 139597686) has the molecular formula C17H22BrNO3 and a molecular weight of 368.27 g/mol. Its IUPAC name is (4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one
PubChem CID139597686
Molecular FormulaC17H22BrNO3
Molecular Weight368.27 g/mol
Exact Mass367.08
IUPAC Name(4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one
SMILESCCCCC(=O)N1C(c2ccc(Br)cc2)OC(=O)[C@@H]1C(C)C
InChIInChI=1S/C17H22BrNO3/c1-4-5-6-14(20)19-15(11(2)3)17(21)22-16(19)12-7-9-13(18)10-8-12/h7-11,15-16H,4-6H2,1-3H3/t15-,16?/m0/s1
InChIKeyWOAMFBOLOWOMMK-VYRBHSGPSA-N
XLogP4.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one?
The IUPAC name of (4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one (CID 139597686) is (4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one.
What is the SMILES notation for (4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one?
The canonical SMILES for (4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one is CCCCC(=O)N1C(c2ccc(Br)cc2)OC(=O)[C@@H]1C(C)C.
What is the InChIKey of (4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one?
The InChIKey is WOAMFBOLOWOMMK-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H22BrNO3/c1-4-5-6-14(20)19-15(11(2)3)17(21)22-16(19)12-7-9-13(18)10-8-12/h7-11,15-16H,4-6H2,1-3H3/t15-,16?/m0/s1.
What are the key properties of (4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one?
(4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one has a molecular weight of 368.27 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-bromophenyl)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-5-one is sourced from PubChem (CID 139597686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).