5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

C15H22N4O2 — CID 94032371

IUPAC5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc([C@@H]2CCCN2Cc2noc(C(C)(C)C)n2)on1
InChIInChI=1S/C15H22N4O2/c1-10-8-12(20-17-10)11-6-5-7-19(11)9-13-16-14(21-18-13)15(2,3)4/h8,11H,5-7,9H2,1-4H3/t11-/m0/s1
InChIKeyWYLMUOJUGKSROU-NSHDSACASA-N
MW290.37 g/mol
LogP3.00
Rot. Bonds3

About 5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 94032371) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID94032371
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc([C@@H]2CCCN2Cc2noc(C(C)(C)C)n2)on1
InChIInChI=1S/C15H22N4O2/c1-10-8-12(20-17-10)11-6-5-7-19(11)9-13-16-14(21-18-13)15(2,3)4/h8,11H,5-7,9H2,1-4H3/t11-/m0/s1
InChIKeyWYLMUOJUGKSROU-NSHDSACASA-N
XLogP3.00
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
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3-methyl-5-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
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3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
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3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
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4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide
CID 94026641
2-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369742
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3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole
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3-methyl-5-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95079360
5-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120898876
3-methyl-5-[1-[(1-methylindol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 94032371) is 5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1cc([C@@H]2CCCN2Cc2noc(C(C)(C)C)n2)on1.
What is the InChIKey of 5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is WYLMUOJUGKSROU-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-8-12(20-17-10)11-6-5-7-19(11)9-13-16-14(21-18-13)15(2,3)4/h8,11H,5-7,9H2,1-4H3/t11-/m0/s1.
What are the key properties of 5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 290.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 94032371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).