N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine

C9H15N3O2 — CID 60719836

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1noc(CNCC2CCCO2)n1
InChIInChI=1S/C9H15N3O2/c1-7-11-9(14-12-7)6-10-5-8-3-2-4-13-8/h8,10H,2-6H2,1H3
InChIKeyPMKDPPBJUUIPDF-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.65
Rot. Bonds4

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 60719836) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID60719836
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1noc(CNCC2CCCO2)n1
InChIInChI=1S/C9H15N3O2/c1-7-11-9(14-12-7)6-10-5-8-3-2-4-13-8/h8,10H,2-6H2,1H3
InChIKeyPMKDPPBJUUIPDF-UHFFFAOYSA-N
XLogP0.65
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 60719836) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine is Cc1noc(CNCC2CCCO2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is PMKDPPBJUUIPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-11-9(14-12-7)6-10-5-8-3-2-4-13-8/h8,10H,2-6H2,1H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 197.24 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 60719836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).