N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide

C18H16N6O2 — CID 47026774

IUPACN-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide
SMILESCC(C)c1nc2cc(NC(=O)c3ccc(-n4cnnn4)cc3)ccc2o1
InChIInChI=1S/C18H16N6O2/c1-11(2)18-21-15-9-13(5-8-16(15)26-18)20-17(25)12-3-6-14(7-4-12)24-10-19-22-23-24/h3-11H,1-2H3,(H,20,25)
InChIKeyRUXUDWRXLXGUJV-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.18
Rot. Bonds4

About N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide

N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide (PubChem CID 47026774) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide
PubChem CID47026774
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide
SMILESCC(C)c1nc2cc(NC(=O)c3ccc(-n4cnnn4)cc3)ccc2o1
InChIInChI=1S/C18H16N6O2/c1-11(2)18-21-15-9-13(5-8-16(15)26-18)20-17(25)12-3-6-14(7-4-12)24-10-19-22-23-24/h3-11H,1-2H3,(H,20,25)
InChIKeyRUXUDWRXLXGUJV-UHFFFAOYSA-N
XLogP3.18
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46460476
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401870
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
5-methyl-1-(4-methylphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)triazole-4-carboxamide
CID 55910593
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424589
4-[(4-methoxyphenyl)sulfamoyl]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401839
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
CID 81257574
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46416378
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 60509207
N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide (CID 47026774) is N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide is CC(C)c1nc2cc(NC(=O)c3ccc(-n4cnnn4)cc3)ccc2o1.
What is the InChIKey of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is RUXUDWRXLXGUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-11(2)18-21-15-9-13(5-8-16(15)26-18)20-17(25)12-3-6-14(7-4-12)24-10-19-22-23-24/h3-11H,1-2H3,(H,20,25).
What are the key properties of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide?
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 348.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 47026774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).