5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

C15H17N3O4 — CID 110391661

IUPAC5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1-c1nnc(C(=O)NCC2CCCO2)o1
InChIInChI=1S/C15H17N3O4/c1-20-12-7-3-2-6-11(12)14-17-18-15(22-14)13(19)16-9-10-5-4-8-21-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,19)
InChIKeyDGMNMGGIQVCGET-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.65
Rot. Bonds5

About 5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide

5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391661) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391661
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccccc1-c1nnc(C(=O)NCC2CCCO2)o1
InChIInChI=1S/C15H17N3O4/c1-20-12-7-3-2-6-11(12)14-17-18-15(22-14)13(19)16-9-10-5-4-8-21-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,19)
InChIKeyDGMNMGGIQVCGET-UHFFFAOYSA-N
XLogP1.65
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methoxyphenyl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46096842
N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391670
5-(2-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 95756967
5-(2-methoxyphenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 75537750
5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391659
N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391649
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]oxolane-2-carboxamide
CID 110319883
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide
CID 110321707
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391702
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 42427479

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391661) is 5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is COc1ccccc1-c1nnc(C(=O)NCC2CCCO2)o1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is DGMNMGGIQVCGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-20-12-7-3-2-6-11(12)14-17-18-15(22-14)13(19)16-9-10-5-4-8-21-10/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,19).
What are the key properties of 5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide?
5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).