N-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine

C16H17N3O4 — CID 75446141

IUPACN-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(OC)c(CNc2nnc(-c3ccoc3C)o2)c1
InChIInChI=1S/C16H17N3O4/c1-10-13(6-7-22-10)15-18-19-16(23-15)17-9-11-8-12(20-2)4-5-14(11)21-3/h4-8H,9H2,1-3H3,(H,17,19)
InChIKeyDPOYFTZRUWUCJZ-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.27
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine

N-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 75446141) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID75446141
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(OC)c(CNc2nnc(-c3ccoc3C)o2)c1
InChIInChI=1S/C16H17N3O4/c1-10-13(6-7-22-10)15-18-19-16(23-15)17-9-11-8-12(20-2)4-5-14(11)21-3/h4-8H,9H2,1-3H3,(H,17,19)
InChIKeyDPOYFTZRUWUCJZ-UHFFFAOYSA-N
XLogP3.27
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine
CID 75505615
5-bromo-2-methoxy-4-methyl-N-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 136533985
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9405111
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-amine
CID 75520323
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 16854277
N-[(2,5-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 791602
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 16854290
1-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138105
N-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138524
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719065
N-[(2-methoxyphenyl)methyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78653631
N-[(2,5-dimethoxyphenyl)methyl]-1-methylbenzimidazol-2-amine
CID 937758

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine (CID 75446141) is N-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine is COc1ccc(OC)c(CNc2nnc(-c3ccoc3C)o2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DPOYFTZRUWUCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-10-13(6-7-22-10)15-18-19-16(23-15)17-9-11-8-12(20-2)4-5-14(11)21-3/h4-8H,9H2,1-3H3,(H,17,19).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine?
N-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 315.33 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75446141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).