N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1,4-dioxine-5-carboxamide

C17H18ClN3O4 — CID 24686806

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)C1=COCCO1
InChIInChI=1S/C17H18ClN3O4/c1-11(2)21(17(22)14-10-23-7-8-24-14)9-15-19-20-16(25-15)12-3-5-13(18)6-4-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyACPFUZOSQJSBQZ-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.02
Rot. Bonds5

About N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 24686806) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID24686806
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)C1=COCCO1
InChIInChI=1S/C17H18ClN3O4/c1-11(2)21(17(22)14-10-23-7-8-24-14)9-15-19-20-16(25-15)12-3-5-13(18)6-4-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyACPFUZOSQJSBQZ-UHFFFAOYSA-N
XLogP3.02
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 24686806) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1,4-dioxine-5-carboxamide is CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)C1=COCCO1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is ACPFUZOSQJSBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-11(2)21(17(22)14-10-23-7-8-24-14)9-15-19-20-16(25-15)12-3-5-13(18)6-4-12/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 24686806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).