(5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one

C16H17N3O2S — CID 95271783

IUPAC(5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESO=C1NC[C@H](CSc2ncc(-c3ccccc3)n2C2CC2)O1
InChIInChI=1S/C16H17N3O2S/c20-16-18-8-13(21-16)10-22-15-17-9-14(19(15)12-6-7-12)11-4-2-1-3-5-11/h1-5,9,12-13H,6-8,10H2,(H,18,20)/t13-/m1/s1
InChIKeyNYUHDIJEPAMQCM-CYBMUJFWSA-N
MW315.40 g/mol
LogP3.09
Rot. Bonds5

About (5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one

(5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one (PubChem CID 95271783) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is (5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one
PubChem CID95271783
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name(5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESO=C1NC[C@H](CSc2ncc(-c3ccccc3)n2C2CC2)O1
InChIInChI=1S/C16H17N3O2S/c20-16-18-8-13(21-16)10-22-15-17-9-14(19(15)12-6-7-12)11-4-2-1-3-5-11/h1-5,9,12-13H,6-8,10H2,(H,18,20)/t13-/m1/s1
InChIKeyNYUHDIJEPAMQCM-CYBMUJFWSA-N
XLogP3.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one (CID 95271783) is (5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one is O=C1NC[C@H](CSc2ncc(-c3ccccc3)n2C2CC2)O1.
What is the InChIKey of (5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one?
The InChIKey is NYUHDIJEPAMQCM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-16-18-8-13(21-16)10-22-15-17-9-14(19(15)12-6-7-12)11-4-2-1-3-5-11/h1-5,9,12-13H,6-8,10H2,(H,18,20)/t13-/m1/s1.
What are the key properties of (5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one?
(5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one has a molecular weight of 315.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 95271783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).