4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide

C22H22N6O2 — CID 123844670

IUPAC4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide
SMILESCc1noc(C)c1-c1ccc(CC(CC(N)=O)c2cccc(-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C22H22N6O2/c1-13-21(14(2)30-26-13)16-8-6-15(7-9-16)10-19(12-20(23)29)17-4-3-5-18(11-17)22-24-27-28-25-22/h3-9,11,19H,10,12H2,1-2H3,(H2,23,29)(H,24,25,27,28)
InChIKeyFACBZIQWWQHUKX-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.34
Rot. Bonds7

About 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide

4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide (PubChem CID 123844670) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide
PubChem CID123844670
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide
SMILESCc1noc(C)c1-c1ccc(CC(CC(N)=O)c2cccc(-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C22H22N6O2/c1-13-21(14(2)30-26-13)16-8-6-15(7-9-16)10-19(12-20(23)29)17-4-3-5-18(11-17)22-24-27-28-25-22/h3-9,11,19H,10,12H2,1-2H3,(H2,23,29)(H,24,25,27,28)
InChIKeyFACBZIQWWQHUKX-UHFFFAOYSA-N
XLogP3.34
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-hydroxyphenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]hexanamide
CID 123830213
3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide
CID 123225324
3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide
CID 123851007
[4-[2-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenyl]methanol
CID 57222007
[3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol
CID 57211358
[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride
CID 155943661
(2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
CID 69315806
2,4-bis[3-(4-fluorophenyl)-2-hydroxy-4-[[4-[hydroxy-[3-(2H-tetrazol-5-yl)phenyl]methyl]phenyl]methoxy]phenyl]pentan-3-one
CID 150173520
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
CID 157257840
methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
CID 101483431
4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide
CID 76684731
[3-(2H-tetrazol-5-yl)phenyl] carbamate
CID 174326535

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide?
The IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide (CID 123844670) is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide?
The canonical SMILES for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide is Cc1noc(C)c1-c1ccc(CC(CC(N)=O)c2cccc(-c3nn[nH]n3)c2)cc1.
What is the InChIKey of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide?
The InChIKey is FACBZIQWWQHUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-13-21(14(2)30-26-13)16-8-6-15(7-9-16)10-19(12-20(23)29)17-4-3-5-18(11-17)22-24-27-28-25-22/h3-9,11,19H,10,12H2,1-2H3,(H2,23,29)(H,24,25,27,28).
What are the key properties of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide?
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide has a molecular weight of 402.46 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-[3-(2H-tetrazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 123844670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).