[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone

C13H16N4O3 — CID 154737356

IUPAC[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
SMILESCc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2ccc[nH]2)n1
InChIInChI=1S/C13H16N4O3/c1-8-11(12-15-9(2)16-20-12)17(6-7-19-8)13(18)10-4-3-5-14-10/h3-5,8,11,14H,6-7H2,1-2H3/t8-,11+/m1/s1
InChIKeyOVJWCTGKGOZTLL-KCJUWKMLSA-N
MW276.30 g/mol
LogP1.31
Rot. Bonds2

About [(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone

[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 154737356) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is [(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID154737356
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
SMILESCc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2ccc[nH]2)n1
InChIInChI=1S/C13H16N4O3/c1-8-11(12-15-9(2)16-20-12)17(6-7-19-8)13(18)10-4-3-5-14-10/h3-5,8,11,14H,6-7H2,1-2H3/t8-,11+/m1/s1
InChIKeyOVJWCTGKGOZTLL-KCJUWKMLSA-N
XLogP1.31
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1H-inden-4-yl-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone
CID 128989931
(1-methylbenzotriazol-5-yl)-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone
CID 128988759
(E)-4-(4-fluorophenyl)-1-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]but-3-en-1-one
CID 128990301
[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 97377550
(2R,3S)-4-(1,3-benzodioxol-4-ylmethyl)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 154757060
[2-(methoxymethyl)phenyl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346773
1H-indol-4-yl-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95795288
[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95762306
(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119944908
[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 97105096
4-fluoro-3-[[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile
CID 128986927
(2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid
CID 125120608

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone (CID 154737356) is [(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone is Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2ccc[nH]2)n1.
What is the InChIKey of [(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is OVJWCTGKGOZTLL-KCJUWKMLSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8-11(12-15-9(2)16-20-12)17(6-7-19-8)13(18)10-4-3-5-14-10/h3-5,8,11,14H,6-7H2,1-2H3/t8-,11+/m1/s1.
What are the key properties of [(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone?
[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 276.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 154737356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).