(2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide

C12H20N4O3 — CID 128986916

IUPAC(2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide
SMILESCC(C)c1nc(CN2CCO[C@H](C)[C@H]2C(N)=O)no1
InChIInChI=1S/C12H20N4O3/c1-7(2)12-14-9(15-19-12)6-16-4-5-18-8(3)10(16)11(13)17/h7-8,10H,4-6H2,1-3H3,(H2,13,17)/t8-,10+/m1/s1
InChIKeyQFDOLIXJQMZOOB-SCZZXKLOSA-N
MW268.32 g/mol
LogP0.27
Rot. Bonds4

About (2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide (PubChem CID 128986916) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide
PubChem CID128986916
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name(2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide
SMILESCC(C)c1nc(CN2CCO[C@H](C)[C@H]2C(N)=O)no1
InChIInChI=1S/C12H20N4O3/c1-7(2)12-14-9(15-19-12)6-16-4-5-18-8(3)10(16)11(13)17/h7-8,10H,4-6H2,1-3H3,(H2,13,17)/t8-,10+/m1/s1
InChIKeyQFDOLIXJQMZOOB-SCZZXKLOSA-N
XLogP0.27
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide (CID 128986916) is (2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide is CC(C)c1nc(CN2CCO[C@H](C)[C@H]2C(N)=O)no1.
What is the InChIKey of (2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide?
The InChIKey is QFDOLIXJQMZOOB-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-7(2)12-14-9(15-19-12)6-16-4-5-18-8(3)10(16)11(13)17/h7-8,10H,4-6H2,1-3H3,(H2,13,17)/t8-,10+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 128986916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).