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

C18H21N7O2 — CID 97138705

IUPAC[4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1noc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn(C)n3)cc2)n1
InChIInChI=1S/C18H21N7O2/c1-11(2)15-19-17(27-22-15)14-5-4-10-25(14)18(26)13-8-6-12(7-9-13)16-20-23-24(3)21-16/h6-9,11,14H,4-5,10H2,1-3H3/t14-/m0/s1
InChIKeyVJUXHPBSUBELNE-AWEZNQCLSA-N
MW367.41 g/mol
LogP2.36
Rot. Bonds4

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

[4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 97138705) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is [4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID97138705
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name[4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1noc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn(C)n3)cc2)n1
InChIInChI=1S/C18H21N7O2/c1-11(2)15-19-17(27-22-15)14-5-4-10-25(14)18(26)13-8-6-12(7-9-13)16-20-23-24(3)21-16/h6-9,11,14H,4-5,10H2,1-3H3/t14-/m0/s1
InChIKeyVJUXHPBSUBELNE-AWEZNQCLSA-N
XLogP2.36
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 96575341
(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
[3-(5-methylfuran-2-yl)phenyl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70744122
(4-chlorophenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4240880
[(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 7271165
1H-indazol-3-yl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70728158
(3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 95221174
(4-fluorophenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4258624
[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 138379629
[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 131901774

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 97138705) is [4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is CC(C)c1noc([C@@H]2CCCN2C(=O)c2ccc(-c3nnn(C)n3)cc2)n1.
What is the InChIKey of [4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is VJUXHPBSUBELNE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-11(2)15-19-17(27-22-15)14-5-4-10-25(14)18(26)13-8-6-12(7-9-13)16-20-23-24(3)21-16/h6-9,11,14H,4-5,10H2,1-3H3/t14-/m0/s1.
What are the key properties of [4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
[4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 367.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97138705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).