[(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone

C14H17N5O2 — CID 94022322

IUPAC[(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone
SMILESCc1cc(C(=O)N2CCO[C@H](C)C2)ccc1-n1cnnn1
InChIInChI=1S/C14H17N5O2/c1-10-7-12(3-4-13(10)19-9-15-16-17-19)14(20)18-5-6-21-11(2)8-18/h3-4,7,9,11H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyREXVWCGYUBLVQC-LLVKDONJSA-N
MW287.32 g/mol
LogP0.83
Rot. Bonds2

About [(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone

[(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone (PubChem CID 94022322) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is [(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone
PubChem CID94022322
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name[(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone
SMILESCc1cc(C(=O)N2CCO[C@H](C)C2)ccc1-n1cnnn1
InChIInChI=1S/C14H17N5O2/c1-10-7-12(3-4-13(10)19-9-15-16-17-19)14(20)18-5-6-21-11(2)8-18/h3-4,7,9,11H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyREXVWCGYUBLVQC-LLVKDONJSA-N
XLogP0.83
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 94017586
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 131960710
[3-methyl-4-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 55629140
(4-amino-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987389
1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone
CID 55477811
(2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
CID 125118625
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110292445
2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55616156
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382
(3-bromo-4-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 79459484

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone (CID 94022322) is [(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone is Cc1cc(C(=O)N2CCO[C@H](C)C2)ccc1-n1cnnn1.
What is the InChIKey of [(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is REXVWCGYUBLVQC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-7-12(3-4-13(10)19-9-15-16-17-19)14(20)18-5-6-21-11(2)8-18/h3-4,7,9,11H,5-6,8H2,1-2H3/t11-/m1/s1.
What are the key properties of [(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone?
[(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 287.32 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 94022322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).