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

C10H13N3O2 — CID 106659606

IUPAC3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)c2ccc(C)o2)n1
InChIInChI=1S/C10H13N3O2/c1-6-4-5-9(14-6)7(2)11-10-12-8(3)13-15-10/h4-5,7H,1-3H3,(H,11,12,13)
InChIKeyMDKQNFNJZOUZDJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.45
Rot. Bonds3

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

3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine (PubChem CID 106659606) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
PubChem CID106659606
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)c2ccc(C)o2)n1
InChIInChI=1S/C10H13N3O2/c1-6-4-5-9(14-6)7(2)11-10-12-8(3)13-15-10/h4-5,7H,1-3H3,(H,11,12,13)
InChIKeyMDKQNFNJZOUZDJ-UHFFFAOYSA-N
XLogP2.45
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 45815895
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 45823288
N-ethyl-N-(furan-2-ylmethyl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 45826684
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 51080852
N-ethyl-N-(furan-2-ylmethyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 51081810
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51095682
N-(furan-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 53338094
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide
CID 53338101
N-(furan-2-ylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 53517749
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]-N-[1-(furan-2-yl)ethyl]acetamide
CID 53603507
[2-(3-Ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 56728276
2-(furan-2-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-sulfonamide
CID 71873007

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine (CID 106659606) is 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine is Cc1noc(NC(C)c2ccc(C)o2)n1.
What is the InChIKey of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is MDKQNFNJZOUZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6-4-5-9(14-6)7(2)11-10-12-8(3)13-15-10/h4-5,7H,1-3H3,(H,11,12,13).
What are the key properties of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine?
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 207.23 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106659606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).