tert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate

C18H30N4O4 — CID 110627457

IUPACtert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCc1nnc(C(CC(C)C)NC(=O)C2CCCN2C(=O)OC(C)(C)C)o1
InChIInChI=1S/C18H30N4O4/c1-11(2)10-13(16-21-20-12(3)25-16)19-15(23)14-8-7-9-22(14)17(24)26-18(4,5)6/h11,13-14H,7-10H2,1-6H3,(H,19,23)
InChIKeyOIXJVLNQOMJSRS-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.98
Rot. Bonds5

About tert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate

tert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 110627457) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID110627457
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Nametert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCc1nnc(C(CC(C)C)NC(=O)C2CCCN2C(=O)OC(C)(C)C)o1
InChIInChI=1S/C18H30N4O4/c1-11(2)10-13(16-21-20-12(3)25-16)19-15(23)14-8-7-9-22(14)17(24)26-18(4,5)6/h11,13-14H,7-10H2,1-6H3,(H,19,23)
InChIKeyOIXJVLNQOMJSRS-UHFFFAOYSA-N
XLogP2.98
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

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N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
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tert-butyl 2-(3-methylbutan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 73237927
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CID 101040287
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tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 70050480
(2S)-3-methyl-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid
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tert-butyl 2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 57153522
4-methyl-2-[[4-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexanecarbonyl]amino]pentanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate (CID 110627457) is tert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate is Cc1nnc(C(CC(C)C)NC(=O)C2CCCN2C(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is OIXJVLNQOMJSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-11(2)10-13(16-21-20-12(3)25-16)19-15(23)14-8-7-9-22(14)17(24)26-18(4,5)6/h11,13-14H,7-10H2,1-6H3,(H,19,23).
What are the key properties of tert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 110627457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).