N-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide

C14H21N3O2 — CID 75436528

IUPACN-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide
SMILESCc1nnc(CN(C(=O)C2CC=CC2)C(C)(C)C)o1
InChIInChI=1S/C14H21N3O2/c1-10-15-16-12(19-10)9-17(14(2,3)4)13(18)11-7-5-6-8-11/h5-6,11H,7-9H2,1-4H3
InChIKeyVJTHVEBZEFXMMT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.47
Rot. Bonds3

About N-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide

N-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide (PubChem CID 75436528) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide
PubChem CID75436528
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide
SMILESCc1nnc(CN(C(=O)C2CC=CC2)C(C)(C)C)o1
InChIInChI=1S/C14H21N3O2/c1-10-15-16-12(19-10)9-17(14(2,3)4)13(18)11-7-5-6-8-11/h5-6,11H,7-9H2,1-4H3
InChIKeyVJTHVEBZEFXMMT-UHFFFAOYSA-N
XLogP2.47
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide (CID 75436528) is N-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide is Cc1nnc(CN(C(=O)C2CC=CC2)C(C)(C)C)o1.
What is the InChIKey of N-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is VJTHVEBZEFXMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-15-16-12(19-10)9-17(14(2,3)4)13(18)11-7-5-6-8-11/h5-6,11H,7-9H2,1-4H3.
What are the key properties of N-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide?
N-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 75436528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).