(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one

C17H27N3O4 — CID 129327676

IUPAC(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1nnc([C@@H]2COCCN2C(=O)[C@H](C)O[C@@H]2CCC[C@@H](C)C2)o1
InChIInChI=1S/C17H27N3O4/c1-11-5-4-6-14(9-11)23-12(2)17(21)20-7-8-22-10-15(20)16-19-18-13(3)24-16/h11-12,14-15H,4-10H2,1-3H3/t11-,12+,14-,15+/m1/s1
InChIKeyVVORAIPIZFOJKH-OSRDXIQISA-N
MW337.42 g/mol
LogP2.26
Rot. Bonds4

About (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one

(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one (PubChem CID 129327676) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
PubChem CID129327676
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1nnc([C@@H]2COCCN2C(=O)[C@H](C)O[C@@H]2CCC[C@@H](C)C2)o1
InChIInChI=1S/C17H27N3O4/c1-11-5-4-6-14(9-11)23-12(2)17(21)20-7-8-22-10-15(20)16-19-18-13(3)24-16/h11-12,14-15H,4-10H2,1-3H3/t11-,12+,14-,15+/m1/s1
InChIKeyVVORAIPIZFOJKH-OSRDXIQISA-N
XLogP2.26
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one (CID 129327676) is (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one is Cc1nnc([C@@H]2COCCN2C(=O)[C@H](C)O[C@@H]2CCC[C@@H](C)C2)o1.
What is the InChIKey of (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The InChIKey is VVORAIPIZFOJKH-OSRDXIQISA-N. The full InChI is InChI=1S/C17H27N3O4/c1-11-5-4-6-14(9-11)23-12(2)17(21)20-7-8-22-10-15(20)16-19-18-13(3)24-16/h11-12,14-15H,4-10H2,1-3H3/t11-,12+,14-,15+/m1/s1.
What are the key properties of (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one has a molecular weight of 337.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 129327676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).