N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-2-carboxamide

C14H23N3O3 — CID 50953529

IUPACN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-2-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)C1CCCO1
InChIInChI=1S/C14H23N3O3/c1-4-17(14(18)11-6-5-7-19-11)9-12-15-13(20-16-12)8-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyLTVPSYXPMDKOCB-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.80
Rot. Bonds6

About N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-2-carboxamide

N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-2-carboxamide (PubChem CID 50953529) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-2-carboxamide
PubChem CID50953529
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-2-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)C1CCCO1
InChIInChI=1S/C14H23N3O3/c1-4-17(14(18)11-6-5-7-19-11)9-12-15-13(20-16-12)8-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyLTVPSYXPMDKOCB-UHFFFAOYSA-N
XLogP1.80
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-2-carboxamide (CID 50953529) is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-2-carboxamide is CCN(Cc1noc(CC(C)C)n1)C(=O)C1CCCO1.
What is the InChIKey of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-2-carboxamide?
The InChIKey is LTVPSYXPMDKOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-17(14(18)11-6-5-7-19-11)9-12-15-13(20-16-12)8-10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-2-carboxamide?
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 50953529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).