(2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine

C19H26N2O2 — CID 155506586

IUPAC(2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine
SMILESCc1cc(CN2C[C@@H](c3ccccc3)O[C@@H](C(C)(C)C)C2)on1
InChIInChI=1S/C19H26N2O2/c1-14-10-16(23-20-14)11-21-12-17(15-8-6-5-7-9-15)22-18(13-21)19(2,3)4/h5-10,17-18H,11-13H2,1-4H3/t17-,18+/m0/s1
InChIKeyUDJMTUQUQDUHNT-ZWKOTPCHSA-N
MW314.43 g/mol
LogP3.97
Rot. Bonds3

About (2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine

(2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine (PubChem CID 155506586) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine
PubChem CID155506586
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine
SMILESCc1cc(CN2C[C@@H](c3ccccc3)O[C@@H](C(C)(C)C)C2)on1
InChIInChI=1S/C19H26N2O2/c1-14-10-16(23-20-14)11-21-12-17(15-8-6-5-7-9-15)22-18(13-21)19(2,3)4/h5-10,17-18H,11-13H2,1-4H3/t17-,18+/m0/s1
InChIKeyUDJMTUQUQDUHNT-ZWKOTPCHSA-N
XLogP3.97
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine?
The IUPAC name of (2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine (CID 155506586) is (2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine.
What is the SMILES notation for (2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine?
The canonical SMILES for (2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine is Cc1cc(CN2C[C@@H](c3ccccc3)O[C@@H](C(C)(C)C)C2)on1.
What is the InChIKey of (2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine?
The InChIKey is UDJMTUQUQDUHNT-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-10-16(23-20-14)11-21-12-17(15-8-6-5-7-9-15)22-18(13-21)19(2,3)4/h5-10,17-18H,11-13H2,1-4H3/t17-,18+/m0/s1.
What are the key properties of (2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine?
(2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine has a molecular weight of 314.43 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-tert-butyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-phenylmorpholine is sourced from PubChem (CID 155506586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).