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

C13H12ClN7O2 — CID 91692460

IUPACN-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)NCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C13H12ClN7O2/c14-10-3-1-2-9(6-10)13-17-12(23-18-13)7-15-11(22)4-5-21-8-16-19-20-21/h1-3,6,8H,4-5,7H2,(H,15,22)
InChIKeyLBBLPWAWMPUFHB-UHFFFAOYSA-N
MW333.74 g/mol
LogP1.08
Rot. Bonds6

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

N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 91692460) has the molecular formula C13H12ClN7O2 and a molecular weight of 333.74 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)propanamide
PubChem CID91692460
Molecular FormulaC13H12ClN7O2
Molecular Weight333.74 g/mol
Exact Mass333.07
IUPAC NameN-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)propanamide
SMILESO=C(CCn1cnnn1)NCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C13H12ClN7O2/c14-10-3-1-2-9(6-10)13-17-12(23-18-13)7-15-11(22)4-5-21-8-16-19-20-21/h1-3,6,8H,4-5,7H2,(H,15,22)
InChIKeyLBBLPWAWMPUFHB-UHFFFAOYSA-N
XLogP1.08
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,6-dichlorophenyl)propanamide
CID 100604670
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylsulfonylpropanamide
CID 110632229
4-amino-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
CID 120562932
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110310706
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)propanamide
CID 94975471
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenoxypropanamide
CID 110293601
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxyacetamide
CID 56687229
trans-(1R,2R)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131397
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 119792078
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)butanamide
CID 110313940
(2R)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]propanoic acid
CID 83194547
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)propanamide (CID 91692460) is N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)propanamide is O=C(CCn1cnnn1)NCc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is LBBLPWAWMPUFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN7O2/c14-10-3-1-2-9(6-10)13-17-12(23-18-13)7-15-11(22)4-5-21-8-16-19-20-21/h1-3,6,8H,4-5,7H2,(H,15,22).
What are the key properties of N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)propanamide?
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 333.74 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 91692460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).