(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone

C25H26N2O3 — CID 86934387

IUPAC(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone
SMILESCC1COC(c2ccccc2)C(C)N1C(=O)c1nc(-c2ccccc2)oc1C1CC1
InChIInChI=1S/C25H26N2O3/c1-16-15-29-22(18-9-5-3-6-10-18)17(2)27(16)25(28)21-23(19-13-14-19)30-24(26-21)20-11-7-4-8-12-20/h3-12,16-17,19,22H,13-15H2,1-2H3
InChIKeyDWJWYDFZIJEAPC-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.21
Rot. Bonds4

About (5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone

(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone (PubChem CID 86934387) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is (5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone
PubChem CID86934387
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone
SMILESCC1COC(c2ccccc2)C(C)N1C(=O)c1nc(-c2ccccc2)oc1C1CC1
InChIInChI=1S/C25H26N2O3/c1-16-15-29-22(18-9-5-3-6-10-18)17(2)27(16)25(28)21-23(19-13-14-19)30-24(26-21)20-11-7-4-8-12-20/h3-12,16-17,19,22H,13-15H2,1-2H3
InChIKeyDWJWYDFZIJEAPC-UHFFFAOYSA-N
XLogP5.21
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone (CID 86934387) is (5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone is CC1COC(c2ccccc2)C(C)N1C(=O)c1nc(-c2ccccc2)oc1C1CC1.
What is the InChIKey of (5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone?
The InChIKey is DWJWYDFZIJEAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-16-15-29-22(18-9-5-3-6-10-18)17(2)27(16)25(28)21-23(19-13-14-19)30-24(26-21)20-11-7-4-8-12-20/h3-12,16-17,19,22H,13-15H2,1-2H3.
What are the key properties of (5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone?
(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone has a molecular weight of 402.49 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 86934387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).