[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone

C14H21N3O3 — CID 125016255

IUPAC[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
SMILESCc1cnc([C@H]2COCCN2C(=O)C2CCOCC2)[nH]1
InChIInChI=1S/C14H21N3O3/c1-10-8-15-13(16-10)12-9-20-7-4-17(12)14(18)11-2-5-19-6-3-11/h8,11-12H,2-7,9H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyWZDXMQMPULBPOO-GFCCVEGCSA-N
MW279.34 g/mol
LogP1.04
Rot. Bonds2

About [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone

[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone (PubChem CID 125016255) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
PubChem CID125016255
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
SMILESCc1cnc([C@H]2COCCN2C(=O)C2CCOCC2)[nH]1
InChIInChI=1S/C14H21N3O3/c1-10-8-15-13(16-10)12-9-20-7-4-17(12)14(18)11-2-5-19-6-3-11/h8,11-12H,2-7,9H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyWZDXMQMPULBPOO-GFCCVEGCSA-N
XLogP1.04
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105429
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
CID 110105457
6-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 125005017
(E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 110105388
1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 124946055
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105409
(3-cyclohexyl-1,2-oxazol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 125012998
1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124983270
2-(2-chloro-6-fluorophenyl)-1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 124995719
3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 124958382
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 110105482

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone (CID 125016255) is [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone is Cc1cnc([C@H]2COCCN2C(=O)C2CCOCC2)[nH]1.
What is the InChIKey of [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone?
The InChIKey is WZDXMQMPULBPOO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-8-15-13(16-10)12-9-20-7-4-17(12)14(18)11-2-5-19-6-3-11/h8,11-12H,2-7,9H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone?
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 125016255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).