[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone

C18H21N7O2 — CID 96575341

IUPAC[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
SMILESCC(C)c1noc([C@@H]2CCCN2C(=O)c2ccc(Cn3cnnn3)cc2)n1
InChIInChI=1S/C18H21N7O2/c1-12(2)16-20-17(27-21-16)15-4-3-9-25(15)18(26)14-7-5-13(6-8-14)10-24-11-19-22-23-24/h5-8,11-12,15H,3-4,9-10H2,1-2H3/t15-/m0/s1
InChIKeySBHDEULAEFYXAV-HNNXBMFYSA-N
MW367.41 g/mol
LogP2.21
Rot. Bonds5

About [(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone

[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone (PubChem CID 96575341) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is [(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
PubChem CID96575341
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
SMILESCC(C)c1noc([C@@H]2CCCN2C(=O)c2ccc(Cn3cnnn3)cc2)n1
InChIInChI=1S/C18H21N7O2/c1-12(2)16-20-17(27-21-16)15-4-3-9-25(15)18(26)14-7-5-13(6-8-14)10-24-11-19-22-23-24/h5-8,11-12,15H,3-4,9-10H2,1-2H3/t15-/m0/s1
InChIKeySBHDEULAEFYXAV-HNNXBMFYSA-N
XLogP2.21
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 131897141
[4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 97138705
[4-(tetrazol-1-ylmethyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 95148870
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 95199255
[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 97195443
(2-methyl-3H-benzimidazol-5-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70740975
3,4-dihydro-2H-chromen-6-yl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 156609743
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70787503
(4-ethylphenyl)-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4302063
(4-ethylphenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813101
1H-indazol-3-yl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70728158
2-(methylamino)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56862607

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone (CID 96575341) is [(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone is CC(C)c1noc([C@@H]2CCCN2C(=O)c2ccc(Cn3cnnn3)cc2)n1.
What is the InChIKey of [(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is SBHDEULAEFYXAV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-12(2)16-20-17(27-21-16)15-4-3-9-25(15)18(26)14-7-5-13(6-8-14)10-24-11-19-22-23-24/h5-8,11-12,15H,3-4,9-10H2,1-2H3/t15-/m0/s1.
What are the key properties of [(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 367.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 96575341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).