morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone

C12H13N5O2 — CID 60667374

IUPACmorpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2nn[nH]n2)c1)N1CCOCC1
InChIInChI=1S/C12H13N5O2/c18-12(17-4-6-19-7-5-17)10-3-1-2-9(8-10)11-13-15-16-14-11/h1-3,8H,4-7H2,(H,13,14,15,16)
InChIKeyGSCJCRFRQJWANC-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.34
Rot. Bonds2

About morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone

morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone (PubChem CID 60667374) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
PubChem CID60667374
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Namemorpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2nn[nH]n2)c1)N1CCOCC1
InChIInChI=1S/C12H13N5O2/c18-12(17-4-6-19-7-5-17)10-3-1-2-9(8-10)11-13-15-16-14-11/h1-3,8H,4-7H2,(H,13,14,15,16)
InChIKeyGSCJCRFRQJWANC-UHFFFAOYSA-N
XLogP0.34
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
4-(aminomethyl)-N-[3-[4-[3-(morpholine-4-carbonyl)phenyl]phenyl]-1-oxo-1-[4-(2H-tetrazol-5-yl)anilino]propan-2-yl]cyclohexane-1-carboxamide
CID 123780777
[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 91832951
[3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 50778885
[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 77096390
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone
CID 56993724
[3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 50779040

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone?
The IUPAC name of morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone (CID 60667374) is morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone is O=C(c1cccc(-c2nn[nH]n2)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone?
The InChIKey is GSCJCRFRQJWANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c18-12(17-4-6-19-7-5-17)10-3-1-2-9(8-10)11-13-15-16-14-11/h1-3,8H,4-7H2,(H,13,14,15,16).
What are the key properties of morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone?
morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone has a molecular weight of 259.27 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 60667374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).