(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

C22H27N3O2 — CID 72724968

IUPAC(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C2CCC(c3ccc(N)nc3)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-22(2)20(16-6-4-3-5-7-16)25(21(26)27-22)18-11-8-15(9-12-18)17-10-13-19(23)24-14-17/h3-7,10,13-15,18,20H,8-9,11-12H2,1-2H3,(H2,23,24)/t15?,18?,20-/m0/s1
InChIKeyUJGMIJUNDOEIIP-UPQHMETBSA-N
MW365.48 g/mol
LogP4.66
Rot. Bonds3

About (4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 72724968) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID72724968
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C2CCC(c3ccc(N)nc3)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-22(2)20(16-6-4-3-5-7-16)25(21(26)27-22)18-11-8-15(9-12-18)17-10-13-19(23)24-14-17/h3-7,10,13-15,18,20H,8-9,11-12H2,1-2H3,(H2,23,24)/t15?,18?,20-/m0/s1
InChIKeyUJGMIJUNDOEIIP-UPQHMETBSA-N
XLogP4.66
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 72724968) is (4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(C2CCC(c3ccc(N)nc3)CC2)[C@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is UJGMIJUNDOEIIP-UPQHMETBSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-22(2)20(16-6-4-3-5-7-16)25(21(26)27-22)18-11-8-15(9-12-18)17-10-13-19(23)24-14-17/h3-7,10,13-15,18,20H,8-9,11-12H2,1-2H3,(H2,23,24)/t15?,18?,20-/m0/s1.
What are the key properties of (4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 365.48 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 72724968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).