N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide

C18H22N4O3 — CID 134074606

IUPACN-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide
SMILESCc1cccc(-c2nnn3c2COC(CNC(=O)C2CCOC2)C3)c1
InChIInChI=1S/C18H22N4O3/c1-12-3-2-4-13(7-12)17-16-11-25-15(9-22(16)21-20-17)8-19-18(23)14-5-6-24-10-14/h2-4,7,14-15H,5-6,8-11H2,1H3,(H,19,23)
InChIKeyMJEXNMVVJBEUTF-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.31
Rot. Bonds4

About N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide

N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide (PubChem CID 134074606) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide
PubChem CID134074606
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide
SMILESCc1cccc(-c2nnn3c2COC(CNC(=O)C2CCOC2)C3)c1
InChIInChI=1S/C18H22N4O3/c1-12-3-2-4-13(7-12)17-16-11-25-15(9-22(16)21-20-17)8-19-18(23)14-5-6-24-10-14/h2-4,7,14-15H,5-6,8-11H2,1H3,(H,19,23)
InChIKeyMJEXNMVVJBEUTF-UHFFFAOYSA-N
XLogP1.31
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide (CID 134074606) is N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide is Cc1cccc(-c2nnn3c2COC(CNC(=O)C2CCOC2)C3)c1.
What is the InChIKey of N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide?
The InChIKey is MJEXNMVVJBEUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-3-2-4-13(7-12)17-16-11-25-15(9-22(16)21-20-17)8-19-18(23)14-5-6-24-10-14/h2-4,7,14-15H,5-6,8-11H2,1H3,(H,19,23).
What are the key properties of N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide?
N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 134074606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).