5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine

C22H29N5O — CID 159487729

IUPAC5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine
SMILESC1COCCN1.CC(C)(C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C18H20N4.C4H9NO/c1-18(2,3)12-13-8-10-14(11-9-13)15-6-4-5-7-16(15)17-19-21-22-20-17;1-3-6-4-2-5-1/h4-11H,12H2,1-3H3,(H,19,20,21,22);5H,1-4H2
InChIKeyLXUHQENLLSMOSU-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.73
Rot. Bonds3

About 5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine

5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine (PubChem CID 159487729) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine.

Molecular Properties

Compound Name5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine
PubChem CID159487729
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine
SMILESC1COCCN1.CC(C)(C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C18H20N4.C4H9NO/c1-18(2,3)12-13-8-10-14(11-9-13)15-6-4-5-7-16(15)17-19-21-22-20-17;1-3-6-4-2-5-1/h4-11H,12H2,1-3H3,(H,19,20,21,22);5H,1-4H2
InChIKeyLXUHQENLLSMOSU-UHFFFAOYSA-N
XLogP3.73
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole
CID 67555951
2-[4-[2-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]phenyl]benzonitrile
CID 176681364
5-[2-[4-[(2-tert-butyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19750219
5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole
CID 59263962
5-[2-(4-decylphenyl)phenyl]-2H-tetrazole;[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol
CID 67613787
5-[2-[4-[(3-tert-butyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903434
2-methyl-4-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-pyrimidin-6-one
CID 135525308
tert-butyl (2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]but-3-enoate
CID 163575893
1-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazolidin-1-ium-3,5-dithione
CID 19903675
N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-2-amine
CID 15658030
potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde
CID 173044434
5-[2-[4-[[3-tert-butyl-4-(dimethoxymethyl)-5-propyl-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 67870599

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine?
The IUPAC name of 5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine (CID 159487729) is 5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine.
What is the SMILES notation for 5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine?
The canonical SMILES for 5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine is C1COCCN1.CC(C)(C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine?
The InChIKey is LXUHQENLLSMOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4.C4H9NO/c1-18(2,3)12-13-8-10-14(11-9-13)15-6-4-5-7-16(15)17-19-21-22-20-17;1-3-6-4-2-5-1/h4-11H,12H2,1-3H3,(H,19,20,21,22);5H,1-4H2.
What are the key properties of 5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine?
5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine has a molecular weight of 379.51 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine is sourced from PubChem (CID 159487729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).