(3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol

C15H18N2O3 — CID 146139465

IUPAC(3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol
SMILESCN(Cc1cnc(-c2ccccc2)o1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C15H18N2O3/c1-17(13-9-19-10-14(13)18)8-12-7-16-15(20-12)11-5-3-2-4-6-11/h2-7,13-14,18H,8-10H2,1H3/t13-,14-/m1/s1
InChIKeyHOMWOPMYUVBGPI-ZIAGYGMSSA-N
MW274.32 g/mol
LogP1.53
Rot. Bonds4

About (3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol

(3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol (PubChem CID 146139465) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol
PubChem CID146139465
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol
SMILESCN(Cc1cnc(-c2ccccc2)o1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C15H18N2O3/c1-17(13-9-19-10-14(13)18)8-12-7-16-15(20-12)11-5-3-2-4-6-11/h2-7,13-14,18H,8-10H2,1H3/t13-,14-/m1/s1
InChIKeyHOMWOPMYUVBGPI-ZIAGYGMSSA-N
XLogP1.53
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol (CID 146139465) is (3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol is CN(Cc1cnc(-c2ccccc2)o1)[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol?
The InChIKey is HOMWOPMYUVBGPI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17(13-9-19-10-14(13)18)8-12-7-16-15(20-12)11-5-3-2-4-6-11/h2-7,13-14,18H,8-10H2,1H3/t13-,14-/m1/s1.
What are the key properties of (3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol?
(3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol has a molecular weight of 274.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[methyl-[(2-phenyl-1,3-oxazol-5-yl)methyl]amino]oxolan-3-ol is sourced from PubChem (CID 146139465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).