5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

C14H15ClN6O — CID 38877301

IUPAC5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@@H](C)n2nnc(-c3ccc(Cl)cc3)n2)n1
InChIInChI=1S/C14H15ClN6O/c1-8(2)12-16-14(22-19-12)9(3)21-18-13(17-20-21)10-4-6-11(15)7-5-10/h4-9H,1-3H3/t9-/m1/s1
InChIKeyDDFPJJOMLOKKIQ-SECBINFHSA-N
MW318.77 g/mol
LogP3.11
Rot. Bonds4

About 5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 38877301) has the molecular formula C14H15ClN6O and a molecular weight of 318.77 g/mol. Its IUPAC name is 5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID38877301
Molecular FormulaC14H15ClN6O
Molecular Weight318.77 g/mol
Exact Mass318.10
IUPAC Name5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@@H](C)n2nnc(-c3ccc(Cl)cc3)n2)n1
InChIInChI=1S/C14H15ClN6O/c1-8(2)12-16-14(22-19-12)9(3)21-18-13(17-20-21)10-4-6-11(15)7-5-10/h4-9H,1-3H3/t9-/m1/s1
InChIKeyDDFPJJOMLOKKIQ-SECBINFHSA-N
XLogP3.11
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(1R)-1-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 38953858
N-methyl-1-[5-[1-(5-phenyltetrazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867772
5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 46528837
2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole
CID 126669266
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46582904
2-[1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3H-quinazolin-4-one
CID 135886871
(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide
CID 38874295
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345393
2-[1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole
CID 42981637
2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole
CID 51683474
(2S)-1-(4-chlorophenyl)-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 29001948
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide
CID 134022286

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 38877301) is 5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc([C@@H](C)n2nnc(-c3ccc(Cl)cc3)n2)n1.
What is the InChIKey of 5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is DDFPJJOMLOKKIQ-SECBINFHSA-N. The full InChI is InChI=1S/C14H15ClN6O/c1-8(2)12-16-14(22-19-12)9(3)21-18-13(17-20-21)10-4-6-11(15)7-5-10/h4-9H,1-3H3/t9-/m1/s1.
What are the key properties of 5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 318.77 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[5-(4-chlorophenyl)tetrazol-2-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 38877301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).