2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide

C22H22N6O2 — CID 86963534

IUPAC2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3ccc(-c4ncc(C(C)C)o4)cc3)n2)cc1
InChIInChI=1S/C22H22N6O2/c1-14(2)19-12-23-22(30-19)17-8-10-18(11-9-17)24-20(29)13-28-26-21(25-27-28)16-6-4-15(3)5-7-16/h4-12,14H,13H2,1-3H3,(H,24,29)
InChIKeyKUHWJSFMFJCMBK-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.07
Rot. Bonds6

About 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide (PubChem CID 86963534) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide
PubChem CID86963534
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3ccc(-c4ncc(C(C)C)o4)cc3)n2)cc1
InChIInChI=1S/C22H22N6O2/c1-14(2)19-12-23-22(30-19)17-8-10-18(11-9-17)24-20(29)13-28-26-21(25-27-28)16-6-4-15(3)5-7-16/h4-12,14H,13H2,1-3H3,(H,24,29)
InChIKeyKUHWJSFMFJCMBK-UHFFFAOYSA-N
XLogP4.07
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide with MolForge

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Related Compounds

ethyl 4-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate
CID 1266768
N-(4-ethylphenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490049
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7465690
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168
N-(4-cyanophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 9355936
N-dibenzofuran-3-yl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3153108
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide
CID 100671914
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
CID 3171708
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508158

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide (CID 86963534) is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide is Cc1ccc(-c2nnn(CC(=O)Nc3ccc(-c4ncc(C(C)C)o4)cc3)n2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide?
The InChIKey is KUHWJSFMFJCMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-14(2)19-12-23-22(30-19)17-8-10-18(11-9-17)24-20(29)13-28-26-21(25-27-28)16-6-4-15(3)5-7-16/h4-12,14H,13H2,1-3H3,(H,24,29).
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide?
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide has a molecular weight of 402.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 86963534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).