(6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide

C15H26N4O3 — CID 99122278

IUPAC(6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide
SMILESCc1noc([C@H](NC(=O)N2C[C@H](C)OC(C)(C)C2)C(C)C)n1
InChIInChI=1S/C15H26N4O3/c1-9(2)12(13-16-11(4)18-22-13)17-14(20)19-7-10(3)21-15(5,6)8-19/h9-10,12H,7-8H2,1-6H3,(H,17,20)/t10-,12+/m0/s1
InChIKeyCPPDLSNGHXZIQK-CMPLNLGQSA-N
MW310.40 g/mol
LogP2.28
Rot. Bonds3

About (6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide

(6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide (PubChem CID 99122278) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is (6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide
PubChem CID99122278
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name(6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide
SMILESCc1noc([C@H](NC(=O)N2C[C@H](C)OC(C)(C)C2)C(C)C)n1
InChIInChI=1S/C15H26N4O3/c1-9(2)12(13-16-11(4)18-22-13)17-14(20)19-7-10(3)21-15(5,6)8-19/h9-10,12H,7-8H2,1-6H3,(H,17,20)/t10-,12+/m0/s1
InChIKeyCPPDLSNGHXZIQK-CMPLNLGQSA-N
XLogP2.28
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide?
The IUPAC name of (6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide (CID 99122278) is (6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide.
What is the SMILES notation for (6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide?
The canonical SMILES for (6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide is Cc1noc([C@H](NC(=O)N2C[C@H](C)OC(C)(C)C2)C(C)C)n1.
What is the InChIKey of (6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide?
The InChIKey is CPPDLSNGHXZIQK-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-9(2)12(13-16-11(4)18-22-13)17-14(20)19-7-10(3)21-15(5,6)8-19/h9-10,12H,7-8H2,1-6H3,(H,17,20)/t10-,12+/m0/s1.
What are the key properties of (6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide?
(6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide is sourced from PubChem (CID 99122278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).