6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide

C18H15N7O3 — CID 131896944

IUPAC6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
SMILESCc1noc2nc3c(c(C(=O)Nc4ccc(Oc5nn[nH]n5)cc4)c12)CCC3
InChIInChI=1S/C18H15N7O3/c1-9-14-15(12-3-2-4-13(12)20-17(14)28-23-9)16(26)19-10-5-7-11(8-6-10)27-18-21-24-25-22-18/h5-8H,2-4H2,1H3,(H,19,26)(H,21,22,24,25)
InChIKeyLIGIKCGAWRURAK-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.58
Rot. Bonds4

About 6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide

6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide (PubChem CID 131896944) has the molecular formula C18H15N7O3 and a molecular weight of 377.36 g/mol. Its IUPAC name is 6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
PubChem CID131896944
Molecular FormulaC18H15N7O3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC Name6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
SMILESCc1noc2nc3c(c(C(=O)Nc4ccc(Oc5nn[nH]n5)cc4)c12)CCC3
InChIInChI=1S/C18H15N7O3/c1-9-14-15(12-3-2-4-13(12)20-17(14)28-23-9)16(26)19-10-5-7-11(8-6-10)27-18-21-24-25-22-18/h5-8H,2-4H2,1H3,(H,19,26)(H,21,22,24,25)
InChIKeyLIGIKCGAWRURAK-UHFFFAOYSA-N
XLogP2.58
TPSA131.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide with MolForge

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Related Compounds

6-methyl-N-pyridin-4-yl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 45493184
5-acetyl-2,4-dimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-1H-pyrrole-3-carboxamide
CID 131934212
N-cyclopentyl-6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 86207454
1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 131932427
1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide
CID 131903630
6-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 134705765
2,6-dimethoxy-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide
CID 131888846
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
CID 131948776
3-(5-methyltetrazol-1-yl)-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
CID 131893929
N-[4-(2H-tetrazol-5-yloxy)phenyl]azetidine-2-carboxamide;hydrochloride
CID 154912887
N-(4-ethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 2314335
N-(2-hydroxyethyl)-6-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 135097073

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
The IUPAC name of 6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide (CID 131896944) is 6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
The canonical SMILES for 6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide is Cc1noc2nc3c(c(C(=O)Nc4ccc(Oc5nn[nH]n5)cc4)c12)CCC3.
What is the InChIKey of 6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
The InChIKey is LIGIKCGAWRURAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O3/c1-9-14-15(12-3-2-4-13(12)20-17(14)28-23-9)16(26)19-10-5-7-11(8-6-10)27-18-21-24-25-22-18/h5-8H,2-4H2,1H3,(H,19,26)(H,21,22,24,25).
What are the key properties of 6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide has a molecular weight of 377.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide is sourced from PubChem (CID 131896944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).