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

C16H18N6O3 — CID 128988759

IUPAC(1-methylbenzotriazol-5-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)c2ccc3c(c2)nnn3C)n1
InChIInChI=1S/C16H18N6O3/c1-9-14(15-17-10(2)19-25-15)22(6-7-24-9)16(23)11-4-5-13-12(8-11)18-20-21(13)3/h4-5,8-9,14H,6-7H2,1-3H3/t9-,14+/m1/s1
InChIKeyKQSRAXQHQUFEJO-OTYXRUKQSA-N
MW342.36 g/mol
LogP1.26
Rot. Bonds2

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

(1-methylbenzotriazol-5-yl)-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone (PubChem CID 128988759) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is (1-methylbenzotriazol-5-yl)-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-methylbenzotriazol-5-yl)-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone
PubChem CID128988759
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name(1-methylbenzotriazol-5-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)c2ccc3c(c2)nnn3C)n1
InChIInChI=1S/C16H18N6O3/c1-9-14(15-17-10(2)19-25-15)22(6-7-24-9)16(23)11-4-5-13-12(8-11)18-20-21(13)3/h4-5,8-9,14H,6-7H2,1-3H3/t9-,14+/m1/s1
InChIKeyKQSRAXQHQUFEJO-OTYXRUKQSA-N
XLogP1.26
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
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
(2S)-4-(1-methylbenzotriazole-5-carbonyl)morpholine-2-carboxylic acid
CID 125120375
(2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone
CID 128716633
(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
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 96996923
(3,4-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129348913
(3R)-2-(1-methylbenzotriazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124697410
[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 91783633
2-(1-methylbenzotriazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119195613
N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide
CID 136532075
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 96500738

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzotriazol-5-yl)-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (1-methylbenzotriazol-5-yl)-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone (CID 128988759) is (1-methylbenzotriazol-5-yl)-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (1-methylbenzotriazol-5-yl)-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (1-methylbenzotriazol-5-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)c2ccc3c(c2)nnn3C)n1.
What is the InChIKey of (1-methylbenzotriazol-5-yl)-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is KQSRAXQHQUFEJO-OTYXRUKQSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-9-14(15-17-10(2)19-25-15)22(6-7-24-9)16(23)11-4-5-13-12(8-11)18-20-21(13)3/h4-5,8-9,14H,6-7H2,1-3H3/t9-,14+/m1/s1.
What are the key properties of (1-methylbenzotriazol-5-yl)-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone?
(1-methylbenzotriazol-5-yl)-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 342.36 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzotriazol-5-yl)-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 128988759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).