[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C18H20N2O3 — CID 134700601

IUPAC[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)no1
InChIInChI=1S/C18H20N2O3/c1-12-9-15(19-23-12)18(21)20-10-16(13-5-3-2-4-6-13)22-17(11-20)14-7-8-14/h2-6,9,14,16-17H,7-8,10-11H2,1H3/t16-,17+/m0/s1
InChIKeyWADDRFHCVXQNAD-DLBZAZTESA-N
MW312.37 g/mol
LogP2.98
Rot. Bonds3

About [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 134700601) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID134700601
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)no1
InChIInChI=1S/C18H20N2O3/c1-12-9-15(19-23-12)18(21)20-10-16(13-5-3-2-4-6-13)22-17(11-20)14-7-8-14/h2-6,9,14,16-17H,7-8,10-11H2,1H3/t16-,17+/m0/s1
InChIKeyWADDRFHCVXQNAD-DLBZAZTESA-N
XLogP2.98
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 134700601) is [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)no1.
What is the InChIKey of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is WADDRFHCVXQNAD-DLBZAZTESA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-9-15(19-23-12)18(21)20-10-16(13-5-3-2-4-6-13)22-17(11-20)14-7-8-14/h2-6,9,14,16-17H,7-8,10-11H2,1H3/t16-,17+/m0/s1.
What are the key properties of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 134700601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).