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

C17H29N3O2 — CID 71607140

IUPAC(2S,4R)-3-[(S)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-2-methoxy-4-propan-2-yl-1,3-oxazolidine
SMILESCO[C@H]1OC[C@@H](C(C)C)N1[C@H](c1nccn1C)C1CCCC1
InChIInChI=1S/C17H29N3O2/c1-12(2)14-11-22-17(21-4)20(14)15(13-7-5-6-8-13)16-18-9-10-19(16)3/h9-10,12-15,17H,5-8,11H2,1-4H3/t14-,15-,17-/m0/s1
InChIKeyPTUMLLQHIGZMNO-ZOBUZTSGSA-N
MW307.44 g/mol
LogP2.94
Rot. Bonds5

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

(2S,4R)-3-[(S)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-2-methoxy-4-propan-2-yl-1,3-oxazolidine (PubChem CID 71607140) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2S,4R)-3-[(S)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-2-methoxy-4-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4R)-3-[(S)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-2-methoxy-4-propan-2-yl-1,3-oxazolidine
PubChem CID71607140
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(2S,4R)-3-[(S)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-2-methoxy-4-propan-2-yl-1,3-oxazolidine
SMILESCO[C@H]1OC[C@@H](C(C)C)N1[C@H](c1nccn1C)C1CCCC1
InChIInChI=1S/C17H29N3O2/c1-12(2)14-11-22-17(21-4)20(14)15(13-7-5-6-8-13)16-18-9-10-19(16)3/h9-10,12-15,17H,5-8,11H2,1-4H3/t14-,15-,17-/m0/s1
InChIKeyPTUMLLQHIGZMNO-ZOBUZTSGSA-N
XLogP2.94
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-3-[(S)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-2-methoxy-4-propan-2-yl-1,3-oxazolidine?
The IUPAC name of (2S,4R)-3-[(S)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-2-methoxy-4-propan-2-yl-1,3-oxazolidine (CID 71607140) is (2S,4R)-3-[(S)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-2-methoxy-4-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for (2S,4R)-3-[(S)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-2-methoxy-4-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for (2S,4R)-3-[(S)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-2-methoxy-4-propan-2-yl-1,3-oxazolidine is CO[C@H]1OC[C@@H](C(C)C)N1[C@H](c1nccn1C)C1CCCC1.
What is the InChIKey of (2S,4R)-3-[(S)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-2-methoxy-4-propan-2-yl-1,3-oxazolidine?
The InChIKey is PTUMLLQHIGZMNO-ZOBUZTSGSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12(2)14-11-22-17(21-4)20(14)15(13-7-5-6-8-13)16-18-9-10-19(16)3/h9-10,12-15,17H,5-8,11H2,1-4H3/t14-,15-,17-/m0/s1.
What are the key properties of (2S,4R)-3-[(S)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-2-methoxy-4-propan-2-yl-1,3-oxazolidine?
(2S,4R)-3-[(S)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-2-methoxy-4-propan-2-yl-1,3-oxazolidine has a molecular weight of 307.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-3-[(S)-cyclopentyl-(1-methylimidazol-2-yl)methyl]-2-methoxy-4-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 71607140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).