(R)-[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanol

C19H25N3O4 — CID 101488896

IUPAC(R)-[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanol
SMILESCOC1=N[C@H]([C@@H](O)C2=NO[C@@H](c3ccccc3)C2)C(OC)=N[C@@H]1C(C)C
InChIInChI=1S/C19H25N3O4/c1-11(2)15-18(24-3)21-16(19(20-15)25-4)17(23)13-10-14(26-22-13)12-8-6-5-7-9-12/h5-9,11,14-17,23H,10H2,1-4H3/t14-,15-,16-,17+/m1/s1
InChIKeyZJYRNDHBSULQCV-VQHPVUNQSA-N
MW359.43 g/mol
LogP2.36
Rot. Bonds4

About (R)-[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanol

(R)-[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanol (PubChem CID 101488896) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (R)-[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name(R)-[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanol
PubChem CID101488896
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(R)-[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanol
SMILESCOC1=N[C@H]([C@@H](O)C2=NO[C@@H](c3ccccc3)C2)C(OC)=N[C@@H]1C(C)C
InChIInChI=1S/C19H25N3O4/c1-11(2)15-18(24-3)21-16(19(20-15)25-4)17(23)13-10-14(26-22-13)12-8-6-5-7-9-12/h5-9,11,14-17,23H,10H2,1-4H3/t14-,15-,16-,17+/m1/s1
InChIKeyZJYRNDHBSULQCV-VQHPVUNQSA-N
XLogP2.36
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (R)-[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The IUPAC name of (R)-[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanol (CID 101488896) is (R)-[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for (R)-[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The canonical SMILES for (R)-[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanol is COC1=N[C@H]([C@@H](O)C2=NO[C@@H](c3ccccc3)C2)C(OC)=N[C@@H]1C(C)C.
What is the InChIKey of (R)-[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanol?
The InChIKey is ZJYRNDHBSULQCV-VQHPVUNQSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-11(2)15-18(24-3)21-16(19(20-15)25-4)17(23)13-10-14(26-22-13)12-8-6-5-7-9-12/h5-9,11,14-17,23H,10H2,1-4H3/t14-,15-,16-,17+/m1/s1.
What are the key properties of (R)-[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanol?
(R)-[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanol has a molecular weight of 359.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 101488896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).