N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-4-(tetrazol-1-yl)benzamide

C21H20ClN7O2 — CID 55771174

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)ccc1-n1cnnn1
InChIInChI=1S/C21H20ClN7O2/c1-13(2)28(11-19-24-25-20(31-19)16-6-4-5-7-17(16)22)21(30)15-8-9-18(14(3)10-15)29-12-23-26-27-29/h4-10,12-13H,11H2,1-3H3
InChIKeyUHHHWMFIALFVBU-UHFFFAOYSA-N
MW437.89 g/mol
LogP3.72
Rot. Bonds6

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-4-(tetrazol-1-yl)benzamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-4-(tetrazol-1-yl)benzamide (PubChem CID 55771174) has the molecular formula C21H20ClN7O2 and a molecular weight of 437.89 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-4-(tetrazol-1-yl)benzamide
PubChem CID55771174
Molecular FormulaC21H20ClN7O2
Molecular Weight437.89 g/mol
Exact Mass437.14
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)ccc1-n1cnnn1
InChIInChI=1S/C21H20ClN7O2/c1-13(2)28(11-19-24-25-20(31-19)16-6-4-5-7-17(16)22)21(30)15-8-9-18(14(3)10-15)29-12-23-26-27-29/h4-10,12-13H,11H2,1-3H3
InChIKeyUHHHWMFIALFVBU-UHFFFAOYSA-N
XLogP3.72
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.89
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-benzamido-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
CID 55630767
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-3-(tetrazol-1-yl)benzamide
CID 55361336
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide
CID 51240926
4-benzylsulfanyl-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 112844814
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(1,3-dithiolan-2-yl)-N-propan-2-ylbenzamide
CID 112794811
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 8698129
2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide
CID 55332799
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxy-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 55380701
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-6-phenyl-N-propan-2-ylpyridine-3-carboxamide
CID 55451475
5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide
CID 112794809
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-fluoro-3-methyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 16558736
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 16563213

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-4-(tetrazol-1-yl)benzamide (CID 55771174) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-4-(tetrazol-1-yl)benzamide is Cc1cc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)ccc1-n1cnnn1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-4-(tetrazol-1-yl)benzamide?
The InChIKey is UHHHWMFIALFVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN7O2/c1-13(2)28(11-19-24-25-20(31-19)16-6-4-5-7-17(16)22)21(30)15-8-9-18(14(3)10-15)29-12-23-26-27-29/h4-10,12-13H,11H2,1-3H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-4-(tetrazol-1-yl)benzamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-4-(tetrazol-1-yl)benzamide has a molecular weight of 437.89 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55771174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).