(4S)-3-[(R)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidine

C16H27N3O — CID 71607148

IUPAC(4S)-3-[(R)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidine
SMILESCC(C)[C@H]1COCN1[C@@H](c1nccn1C)C1CCCC1
InChIInChI=1S/C16H27N3O/c1-12(2)14-10-20-11-19(14)15(13-6-4-5-7-13)16-17-8-9-18(16)3/h8-9,12-15H,4-7,10-11H2,1-3H3/t14-,15-/m1/s1
InChIKeyPVWICIRHTHNUBS-HUUCEWRRSA-N
MW277.41 g/mol
LogP2.97
Rot. Bonds4

About (4S)-3-[(R)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidine

(4S)-3-[(R)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidine (PubChem CID 71607148) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (4S)-3-[(R)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-3-[(R)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidine
PubChem CID71607148
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(4S)-3-[(R)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidine
SMILESCC(C)[C@H]1COCN1[C@@H](c1nccn1C)C1CCCC1
InChIInChI=1S/C16H27N3O/c1-12(2)14-10-20-11-19(14)15(13-6-4-5-7-13)16-17-8-9-18(16)3/h8-9,12-15H,4-7,10-11H2,1-3H3/t14-,15-/m1/s1
InChIKeyPVWICIRHTHNUBS-HUUCEWRRSA-N
XLogP2.97
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-4-Isopropyl-2-methoxy-3-((R)-2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl)oxazolidine
CID 71607139
(2S,4R)-3-[(S)-(iso-Propyl)(1-methyl-1H-imidazol-2-yl)methyl]-4-(iso-propyl)-2-methoxyoxazolidine
CID 71607151
2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 91829587
2-cyclohexyl-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole
CID 95227992
(2R,4S)-3-[(R)-Cyclopentyl(1-methyl-1H-imidazol-2-yl)methyl]-4-(iso-propyl)-2-methoxyoxazolidine
CID 59051216
(2S,4R)-3-[(S)-Cyclopentyl(1-methyl-1H-imidazol-2-yl)methyl]-4-(iso-propyl)-2-methoxyoxazolidine
CID 71607140
(R)-4-iso-Propyl-3-((S)-2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl)oxazolidine
CID 71607157
16-Methyl-2-propan-2-yl-4-oxa-1-aza-13-azoniabicyclo[11.2.1]hexadeca-13(16),14-diene
CID 102331830
(4S)-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine
CID 134944339
(4S)-2-methoxy-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine
CID 134944482
(4S)-2-methoxy-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-4-propan-2-yl-1,3-oxazolidine
CID 134964813
2-Cyclohexyl-1-(3-methoxypropyl)imidazole
CID 66791685

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(R)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidine?
The IUPAC name of (4S)-3-[(R)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidine (CID 71607148) is (4S)-3-[(R)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for (4S)-3-[(R)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for (4S)-3-[(R)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidine is CC(C)[C@H]1COCN1[C@@H](c1nccn1C)C1CCCC1.
What is the InChIKey of (4S)-3-[(R)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidine?
The InChIKey is PVWICIRHTHNUBS-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)14-10-20-11-19(14)15(13-6-4-5-7-13)16-17-8-9-18(16)3/h8-9,12-15H,4-7,10-11H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (4S)-3-[(R)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidine?
(4S)-3-[(R)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidine has a molecular weight of 277.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(R)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 71607148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).