1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]methanamine

C15H20N6O — CID 124731620

IUPAC1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]methanamine
SMILESCCC1=NO[C@H](CN(C)Cc2cccc(-c3nn[nH]n3)c2)C1
InChIInChI=1S/C15H20N6O/c1-3-13-8-14(22-18-13)10-21(2)9-11-5-4-6-12(7-11)15-16-19-20-17-15/h4-7,14H,3,8-10H2,1-2H3,(H,16,17,19,20)/t14-/m0/s1
InChIKeyUASHYUDYJLKDBH-AWEZNQCLSA-N
MW300.37 g/mol
LogP1.85
Rot. Bonds6

About 1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]methanamine

1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]methanamine (PubChem CID 124731620) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]methanamine
PubChem CID124731620
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]methanamine
SMILESCCC1=NO[C@H](CN(C)Cc2cccc(-c3nn[nH]n3)c2)C1
InChIInChI=1S/C15H20N6O/c1-3-13-8-14(22-18-13)10-21(2)9-11-5-4-6-12(7-11)15-16-19-20-17-15/h4-7,14H,3,8-10H2,1-2H3,(H,16,17,19,20)/t14-/m0/s1
InChIKeyUASHYUDYJLKDBH-AWEZNQCLSA-N
XLogP1.85
TPSA79.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]methanamine?
The IUPAC name of 1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]methanamine (CID 124731620) is 1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]methanamine?
The canonical SMILES for 1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]methanamine is CCC1=NO[C@H](CN(C)Cc2cccc(-c3nn[nH]n3)c2)C1.
What is the InChIKey of 1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]methanamine?
The InChIKey is UASHYUDYJLKDBH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N6O/c1-3-13-8-14(22-18-13)10-21(2)9-11-5-4-6-12(7-11)15-16-19-20-17-15/h4-7,14H,3,8-10H2,1-2H3,(H,16,17,19,20)/t14-/m0/s1.
What are the key properties of 1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]methanamine?
1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]methanamine has a molecular weight of 300.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]methanamine is sourced from PubChem (CID 124731620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).