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

C16H25N3O2 — CID 72941411

IUPAC(4S)-3-[(3-cyclohexylimidazol-4-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1Cc1cncn1C1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-12(2)15-10-21-16(20)18(15)9-14-8-17-11-19(14)13-6-4-3-5-7-13/h8,11-13,15H,3-7,9-10H2,1-2H3/t15-/m1/s1
InChIKeyCXWYYUVUAZIKLO-OAHLLOKOSA-N
MW291.39 g/mol
LogP3.37
Rot. Bonds4

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

(4S)-3-[(3-cyclohexylimidazol-4-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 72941411) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (4S)-3-[(3-cyclohexylimidazol-4-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3-cyclohexylimidazol-4-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID72941411
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(4S)-3-[(3-cyclohexylimidazol-4-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1Cc1cncn1C1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-12(2)15-10-21-16(20)18(15)9-14-8-17-11-19(14)13-6-4-3-5-7-13/h8,11-13,15H,3-7,9-10H2,1-2H3/t15-/m1/s1
InChIKeyCXWYYUVUAZIKLO-OAHLLOKOSA-N
XLogP3.37
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3-cyclohexylimidazol-4-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3-cyclohexylimidazol-4-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 72941411) is (4S)-3-[(3-cyclohexylimidazol-4-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3-cyclohexylimidazol-4-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3-cyclohexylimidazol-4-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1Cc1cncn1C1CCCCC1.
What is the InChIKey of (4S)-3-[(3-cyclohexylimidazol-4-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is CXWYYUVUAZIKLO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)15-10-21-16(20)18(15)9-14-8-17-11-19(14)13-6-4-3-5-7-13/h8,11-13,15H,3-7,9-10H2,1-2H3/t15-/m1/s1.
What are the key properties of (4S)-3-[(3-cyclohexylimidazol-4-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(3-cyclohexylimidazol-4-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 291.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3-cyclohexylimidazol-4-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 72941411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).