(4S)-4-benzyl-3-[3-(4-hydroxynaphthalen-1-yl)propanoyl]-1,3-oxazolidin-2-one

C23H21NO4 — CID 118462058

IUPAC(4S)-4-benzyl-3-[3-(4-hydroxynaphthalen-1-yl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1ccc(O)c2ccccc12)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H21NO4/c25-21-12-10-17(19-8-4-5-9-20(19)21)11-13-22(26)24-18(15-28-23(24)27)14-16-6-2-1-3-7-16/h1-10,12,18,25H,11,13-15H2/t18-/m0/s1
InChIKeyOSRZUZXFMUGSRZ-SFHVURJKSA-N
MW375.42 g/mol
LogP4.07
Rot. Bonds5

About (4S)-4-benzyl-3-[3-(4-hydroxynaphthalen-1-yl)propanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[3-(4-hydroxynaphthalen-1-yl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 118462058) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[3-(4-hydroxynaphthalen-1-yl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[3-(4-hydroxynaphthalen-1-yl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID118462058
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name(4S)-4-benzyl-3-[3-(4-hydroxynaphthalen-1-yl)propanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1ccc(O)c2ccccc12)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H21NO4/c25-21-12-10-17(19-8-4-5-9-20(19)21)11-13-22(26)24-18(15-28-23(24)27)14-16-6-2-1-3-7-16/h1-10,12,18,25H,11,13-15H2/t18-/m0/s1
InChIKeyOSRZUZXFMUGSRZ-SFHVURJKSA-N
XLogP4.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[3-(4-hydroxynaphthalen-1-yl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[3-(4-hydroxynaphthalen-1-yl)propanoyl]-1,3-oxazolidin-2-one (CID 118462058) is (4S)-4-benzyl-3-[3-(4-hydroxynaphthalen-1-yl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[3-(4-hydroxynaphthalen-1-yl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[3-(4-hydroxynaphthalen-1-yl)propanoyl]-1,3-oxazolidin-2-one is O=C(CCc1ccc(O)c2ccccc12)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[3-(4-hydroxynaphthalen-1-yl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is OSRZUZXFMUGSRZ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H21NO4/c25-21-12-10-17(19-8-4-5-9-20(19)21)11-13-22(26)24-18(15-28-23(24)27)14-16-6-2-1-3-7-16/h1-10,12,18,25H,11,13-15H2/t18-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[3-(4-hydroxynaphthalen-1-yl)propanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[3-(4-hydroxynaphthalen-1-yl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 375.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[3-(4-hydroxynaphthalen-1-yl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118462058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).