5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine

C18H25F2N5O — CID 155955826

IUPAC5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine
SMILESCCn1c(C2CCC3C(CC2)C3(F)F)nnc1N(C)Cc1cc(C)on1
InChIInChI=1S/C18H25F2N5O/c1-4-25-16(12-5-7-14-15(8-6-12)18(14,19)20)21-22-17(25)24(3)10-13-9-11(2)26-23-13/h9,12,14-15H,4-8,10H2,1-3H3
InChIKeyWJZZLSVOINAQDX-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.77
Rot. Bonds5

About 5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine

5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 155955826) has the molecular formula C18H25F2N5O and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID155955826
Molecular FormulaC18H25F2N5O
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Name5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine
SMILESCCn1c(C2CCC3C(CC2)C3(F)F)nnc1N(C)Cc1cc(C)on1
InChIInChI=1S/C18H25F2N5O/c1-4-25-16(12-5-7-14-15(8-6-12)18(14,19)20)21-22-17(25)24(3)10-13-9-11(2)26-23-13/h9,12,14-15H,4-8,10H2,1-3H3
InChIKeyWJZZLSVOINAQDX-UHFFFAOYSA-N
XLogP3.77
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine (CID 155955826) is 5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine is CCn1c(C2CCC3C(CC2)C3(F)F)nnc1N(C)Cc1cc(C)on1.
What is the InChIKey of 5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is WJZZLSVOINAQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N5O/c1-4-25-16(12-5-7-14-15(8-6-12)18(14,19)20)21-22-17(25)24(3)10-13-9-11(2)26-23-13/h9,12,14-15H,4-8,10H2,1-3H3.
What are the key properties of 5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine?
5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 365.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8,8-difluoro-4-bicyclo[5.1.0]octanyl)-4-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 155955826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).