N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide

C12H17N3O5 — CID 155960657

IUPACN-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide
SMILESCc1noc(C2(NC(=O)C3OCCO3)CCOCC2)n1
InChIInChI=1S/C12H17N3O5/c1-8-13-11(20-15-8)12(2-4-17-5-3-12)14-9(16)10-18-6-7-19-10/h10H,2-7H2,1H3,(H,14,16)
InChIKeyLXTJICZEYJDLKS-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.13
Rot. Bonds3

About N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide

N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide (PubChem CID 155960657) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide
PubChem CID155960657
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC NameN-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide
SMILESCc1noc(C2(NC(=O)C3OCCO3)CCOCC2)n1
InChIInChI=1S/C12H17N3O5/c1-8-13-11(20-15-8)12(2-4-17-5-3-12)14-9(16)10-18-6-7-19-10/h10H,2-7H2,1H3,(H,14,16)
InChIKeyLXTJICZEYJDLKS-UHFFFAOYSA-N
XLogP-0.13
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide with MolForge

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Related Compounds

N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 167909104
5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide
CID 166309149
1-N'-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethene-1,1-diamine
CID 129286690
N-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 130666251
methyl 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 79733482
1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]ethanone
CID 156545791
2-(4,4-dimethylcyclohexyl)-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]acetamide
CID 126820144
3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide
CID 138057337
3-(3-methyl-1,2,4-oxadiazol-5-yl)oxetane-3-carboxylic acid
CID 82406840
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-thiophen-3-ylacetamide
CID 71791995
3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
CID 53181987
1-[cyclopropyl(pyridin-3-yl)methyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]urea
CID 138023021

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide?
The IUPAC name of N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide (CID 155960657) is N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide.
What is the SMILES notation for N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide?
The canonical SMILES for N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide is Cc1noc(C2(NC(=O)C3OCCO3)CCOCC2)n1.
What is the InChIKey of N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide?
The InChIKey is LXTJICZEYJDLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-8-13-11(20-15-8)12(2-4-17-5-3-12)14-9(16)10-18-6-7-19-10/h10H,2-7H2,1H3,(H,14,16).
What are the key properties of N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide?
N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide has a molecular weight of 283.28 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-yl]-1,3-dioxolane-2-carboxamide is sourced from PubChem (CID 155960657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).