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

C16H19N3O4 — CID 110321707

IUPACN-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESCOc1ccccc1-c1nnc(CCNC(=O)C2CCCO2)o1
InChIInChI=1S/C16H19N3O4/c1-21-12-6-3-2-5-11(12)16-19-18-14(23-16)8-9-17-15(20)13-7-4-10-22-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,17,20)
InChIKeyVIJJUSQWRSRNHD-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.58
Rot. Bonds6

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

N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide (PubChem CID 110321707) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide
PubChem CID110321707
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC NameN-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESCOc1ccccc1-c1nnc(CCNC(=O)C2CCCO2)o1
InChIInChI=1S/C16H19N3O4/c1-21-12-6-3-2-5-11(12)16-19-18-14(23-16)8-9-17-15(20)13-7-4-10-22-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,17,20)
InChIKeyVIJJUSQWRSRNHD-UHFFFAOYSA-N
XLogP1.58
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]oxolane-2-carboxamide
CID 110319883
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]oxolane-2-carboxamide
CID 110320373
3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321720
2-fluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321716
5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391661
2-(4-methoxyphenyl)-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 110321732
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 110788043
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055816
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110789686
2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321754
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110789647
N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]oxolane-2-carboxamide
CID 112983505

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide (CID 110321707) is N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide is COc1ccccc1-c1nnc(CCNC(=O)C2CCCO2)o1.
What is the InChIKey of N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is VIJJUSQWRSRNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-21-12-6-3-2-5-11(12)16-19-18-14(23-16)8-9-17-15(20)13-7-4-10-22-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,17,20).
What are the key properties of N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide?
N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 110321707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).