1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one

C19H27N5O3 — CID 99932469

IUPAC1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one
SMILESCOCCn1nnnc1[C@H]1CN(C(=O)CC(C)(C)c2ccccc2)CCO1
InChIInChI=1S/C19H27N5O3/c1-19(2,15-7-5-4-6-8-15)13-17(25)23-9-12-27-16(14-23)18-20-21-22-24(18)10-11-26-3/h4-8,16H,9-14H2,1-3H3/t16-/m1/s1
InChIKeyUQEIHNNJPXAUAJ-MRXNPFEDSA-N
MW373.46 g/mol
LogP1.59
Rot. Bonds7

About 1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one

1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one (PubChem CID 99932469) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one
PubChem CID99932469
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one
SMILESCOCCn1nnnc1[C@H]1CN(C(=O)CC(C)(C)c2ccccc2)CCO1
InChIInChI=1S/C19H27N5O3/c1-19(2,15-7-5-4-6-8-15)13-17(25)23-9-12-27-16(14-23)18-20-21-22-24(18)10-11-26-3/h4-8,16H,9-14H2,1-3H3/t16-/m1/s1
InChIKeyUQEIHNNJPXAUAJ-MRXNPFEDSA-N
XLogP1.59
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-pyridin-3-ylethanone
CID 118778786
3-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]propan-1-one
CID 124750662
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethanone
CID 74243081
1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethanone
CID 124754682
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone
CID 99933795
N-(4-fluorophenyl)-2-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]acetamide
CID 124756422
(2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 99926108
(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine
CID 124755660
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 155493815
(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
CID 124841302
2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
CID 91844335
3-[2-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 91836283

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one?
The IUPAC name of 1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one (CID 99932469) is 1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one.
What is the SMILES notation for 1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one?
The canonical SMILES for 1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one is COCCn1nnnc1[C@H]1CN(C(=O)CC(C)(C)c2ccccc2)CCO1.
What is the InChIKey of 1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one?
The InChIKey is UQEIHNNJPXAUAJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-19(2,15-7-5-4-6-8-15)13-17(25)23-9-12-27-16(14-23)18-20-21-22-24(18)10-11-26-3/h4-8,16H,9-14H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one?
1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one has a molecular weight of 373.46 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-methyl-3-phenylbutan-1-one is sourced from PubChem (CID 99932469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).