(4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C16H21NO3 — CID 10901828

IUPAC(4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@H](C)Cc1ccccc1
InChIInChI=1S/C16H21NO3/c1-11(2)14-10-20-16(19)17(14)15(18)12(3)9-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t12-,14-/m1/s1
InChIKeyRUHWKXREZPLCRW-TZMCWYRMSA-N
MW275.35 g/mol
LogP2.87
Rot. Bonds4

About (4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10901828) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10901828
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@H](C)Cc1ccccc1
InChIInChI=1S/C16H21NO3/c1-11(2)14-10-20-16(19)17(14)15(18)12(3)9-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t12-,14-/m1/s1
InChIKeyRUHWKXREZPLCRW-TZMCWYRMSA-N
XLogP2.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Acetic acid, 2-(2-phenylsuccinimido)-, ethyl ester
CID 47404
Methyl 2-oxo-4-phenyl-1-pyrrolidinecarboxylate
CID 2843063
3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
3-[6-(4-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141138
3-[6-(3-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141223
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
1-Cyclohexyl-3-(3-methylbenzyl)-2,5-pyrrolidinedione
CID 2972321
3-[6-[3-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145976181
methyl (2R,5R)-1-acetyl-5-benzyl-2-methyl-2H-pyrrole-5-carboxylate
CID 5459717
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10901828) is (4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)[C@H](C)Cc1ccccc1.
What is the InChIKey of (4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is RUHWKXREZPLCRW-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(2)14-10-20-16(19)17(14)15(18)12(3)9-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of (4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10901828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).