(4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one

C17H17NO3 — CID 101481067

IUPAC(4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one
SMILESC[C@H]1C(=O)OC(C)(C)N1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H17NO3/c1-11-16(20)21-17(2,3)18(11)15(19)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3/t11-/m0/s1
InChIKeyFJQZMNAMOZSQOW-NSHDSACASA-N
MW283.33 g/mol
LogP2.96
Rot. Bonds1

About (4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one

(4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one (PubChem CID 101481067) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one
PubChem CID101481067
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one
SMILESC[C@H]1C(=O)OC(C)(C)N1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H17NO3/c1-11-16(20)21-17(2,3)18(11)15(19)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3/t11-/m0/s1
InChIKeyFJQZMNAMOZSQOW-NSHDSACASA-N
XLogP2.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one?
The IUPAC name of (4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one (CID 101481067) is (4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one.
What is the SMILES notation for (4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one?
The canonical SMILES for (4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one is C[C@H]1C(=O)OC(C)(C)N1C(=O)c1cccc2ccccc12.
What is the InChIKey of (4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one?
The InChIKey is FJQZMNAMOZSQOW-NSHDSACASA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-16(20)21-17(2,3)18(11)15(19)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3/t11-/m0/s1.
What are the key properties of (4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one?
(4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one has a molecular weight of 283.33 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2,4-trimethyl-3-(naphthalene-1-carbonyl)-1,3-oxazolidin-5-one is sourced from PubChem (CID 101481067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).