(4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one

C18H31NO4 — CID 67661785

IUPAC(4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one
SMILESCN1C(=O)O[C@H](C2OC(C)(C)OC2(C)C)[C@@H]1CC1CCCCC1
InChIInChI=1S/C18H31NO4/c1-17(2)15(22-18(3,4)23-17)14-13(19(5)16(20)21-14)11-12-9-7-6-8-10-12/h12-15H,6-11H2,1-5H3/t13-,14-,15?/m0/s1
InChIKeyHNNUVSMJYWFUDI-ZYOSVBKOSA-N
MW325.45 g/mol
LogP3.71
Rot. Bonds3

About (4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one

(4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one (PubChem CID 67661785) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol. Its IUPAC name is (4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one
PubChem CID67661785
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Name(4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one
SMILESCN1C(=O)O[C@H](C2OC(C)(C)OC2(C)C)[C@@H]1CC1CCCCC1
InChIInChI=1S/C18H31NO4/c1-17(2)15(22-18(3,4)23-17)14-13(19(5)16(20)21-14)11-12-9-7-6-8-10-12/h12-15H,6-11H2,1-5H3/t13-,14-,15?/m0/s1
InChIKeyHNNUVSMJYWFUDI-ZYOSVBKOSA-N
XLogP3.71
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one (CID 67661785) is (4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one is CN1C(=O)O[C@H](C2OC(C)(C)OC2(C)C)[C@@H]1CC1CCCCC1.
What is the InChIKey of (4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is HNNUVSMJYWFUDI-ZYOSVBKOSA-N. The full InChI is InChI=1S/C18H31NO4/c1-17(2)15(22-18(3,4)23-17)14-13(19(5)16(20)21-14)11-12-9-7-6-8-10-12/h12-15H,6-11H2,1-5H3/t13-,14-,15?/m0/s1.
What are the key properties of (4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one?
(4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 325.45 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(cyclohexylmethyl)-3-methyl-5-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67661785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).