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

C18H21N3O3 — CID 128989931

IUPAC2,3-dihydro-1H-inden-4-yl-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone
SMILESCc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cccc3c2CCC3)n1
InChIInChI=1S/C18H21N3O3/c1-11-16(17-19-12(2)20-24-17)21(9-10-23-11)18(22)15-8-4-6-13-5-3-7-14(13)15/h4,6,8,11,16H,3,5,7,9-10H2,1-2H3/t11-,16+/m1/s1
InChIKeyWEPADMMXZJDJQP-BZNIZROVSA-N
MW327.38 g/mol
LogP2.47
Rot. Bonds2

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

2,3-dihydro-1H-inden-4-yl-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone (PubChem CID 128989931) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-4-yl-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-4-yl-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone
PubChem CID128989931
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2,3-dihydro-1H-inden-4-yl-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone
SMILESCc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cccc3c2CCC3)n1
InChIInChI=1S/C18H21N3O3/c1-11-16(17-19-12(2)20-24-17)21(9-10-23-11)18(22)15-8-4-6-13-5-3-7-14(13)15/h4,6,8,11,16H,3,5,7,9-10H2,1-2H3/t11-,16+/m1/s1
InChIKeyWEPADMMXZJDJQP-BZNIZROVSA-N
XLogP2.47
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 154737356
(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
(2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone
CID 136545688
(2R,3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122114525
(2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128988584
3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 136560207
1-(2,3-dihydro-1H-inden-4-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]pyridin-2-one
CID 172665955
[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 91783633
(2S)-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine-2-carboxylic acid
CID 125120608
2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone
CID 128524883
2,3-dihydro-1H-inden-4-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128998279

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-4-yl-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of 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) is 2,3-dihydro-1H-inden-4-yl-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-4-yl-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-4-yl-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone is Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cccc3c2CCC3)n1.
What is the InChIKey of 2,3-dihydro-1H-inden-4-yl-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is WEPADMMXZJDJQP-BZNIZROVSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11-16(17-19-12(2)20-24-17)21(9-10-23-11)18(22)15-8-4-6-13-5-3-7-14(13)15/h4,6,8,11,16H,3,5,7,9-10H2,1-2H3/t11-,16+/m1/s1.
What are the key properties of 2,3-dihydro-1H-inden-4-yl-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone?
2,3-dihydro-1H-inden-4-yl-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 327.38 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-4-yl-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 128989931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).