5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one

C14H15Cl2N7O2 — CID 175506024

IUPAC5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one
SMILESCC(C)n1nc(Cc2c(Cl)cc(NCc3nn[nH]n3)cc2Cl)oc1=O
InChIInChI=1S/C14H15Cl2N7O2/c1-7(2)23-14(24)25-13(20-23)5-9-10(15)3-8(4-11(9)16)17-6-12-18-21-22-19-12/h3-4,7,17H,5-6H2,1-2H3,(H,18,19,21,22)
InChIKeyWANBYWIDANHDNG-UHFFFAOYSA-N
MW384.23 g/mol
LogP2.44
Rot. Bonds6

About 5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one

5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one (PubChem CID 175506024) has the molecular formula C14H15Cl2N7O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one
PubChem CID175506024
Molecular FormulaC14H15Cl2N7O2
Molecular Weight384.23 g/mol
Exact Mass383.07
IUPAC Name5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one
SMILESCC(C)n1nc(Cc2c(Cl)cc(NCc3nn[nH]n3)cc2Cl)oc1=O
InChIInChI=1S/C14H15Cl2N7O2/c1-7(2)23-14(24)25-13(20-23)5-9-10(15)3-8(4-11(9)16)17-6-12-18-21-22-19-12/h3-4,7,17H,5-6H2,1-2H3,(H,18,19,21,22)
InChIKeyWANBYWIDANHDNG-UHFFFAOYSA-N
XLogP2.44
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3,5-dichloro-4-[(5-oxo-4-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-1,2,4-triazine-3,5-dione
CID 175942280
2-[3,5-dichloro-4-[(5-oxo-4-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-6-[dideuterio(hydroxy)methyl]-1,2,4-triazine-3,5-dione
CID 175942290
6-[3,5-dichloro-4-[(5-oxo-4-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-2-(fluoromethyl)-1,2,4-triazine-3,5-dione
CID 175942299
4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 114436460
N-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine
CID 114810044
5-[[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methyl]-2H-tetrazole
CID 58907117
4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 115621009
3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)methyl]anilino]methyl]-4H-1,2,4-oxadiazol-5-one
CID 146402657
3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 69431441
2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide
CID 80646512
1-(4-chloro-3-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethanamine
CID 83069464
1-[3-(2H-tetrazol-5-ylmethylamino)phenyl]ethanone
CID 83705193

Frequently Asked Questions

What is the IUPAC name of 5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one (CID 175506024) is 5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one is CC(C)n1nc(Cc2c(Cl)cc(NCc3nn[nH]n3)cc2Cl)oc1=O.
What is the InChIKey of 5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one?
The InChIKey is WANBYWIDANHDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N7O2/c1-7(2)23-14(24)25-13(20-23)5-9-10(15)3-8(4-11(9)16)17-6-12-18-21-22-19-12/h3-4,7,17H,5-6H2,1-2H3,(H,18,19,21,22).
What are the key properties of 5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one?
5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one has a molecular weight of 384.23 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,6-dichloro-4-(2H-tetrazol-5-ylmethylamino)phenyl]methyl]-3-propan-2-yl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 175506024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).