(1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

About (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

(1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 131892692) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	131892692
Molecular Formula	C19H20N6O4
Molecular Weight	396.41 g/mol
Exact Mass	396.15
IUPAC Name	(1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	CC(C)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)Nc2ccc(Oc4nn[nH]n4)cc2)[C@@H]3C1=O
InChI	InChI=1S/C19H20N6O4/c1-10(2)25-9-19-8-7-13(29-19)14(15(19)17(25)27)16(26)20-11-3-5-12(6-4-11)28-18-21-23-24-22-18/h3-8,10,13-15H,9H2,1-2H3,(H,20,26)(H,21,22,23,24)/t13-,14-,15+,19-/m0/s1
InChIKey	UYTYONBVKSPLHA-ZTENYAIWSA-N
XLogP	1.12
TPSA	122.33 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.41
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The IUPAC name of (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 131892692) is (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

What is the SMILES notation for (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The canonical SMILES for (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is CC(C)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)Nc2ccc(Oc4nn[nH]n4)cc2)[C@@H]3C1=O.

What is the InChIKey of (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The InChIKey is UYTYONBVKSPLHA-ZTENYAIWSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-10(2)25-9-19-8-7-13(29-19)14(15(19)17(25)27)16(26)20-11-3-5-12(6-4-11)28-18-21-23-24-22-18/h3-8,10,13-15H,9H2,1-2H3,(H,20,26)(H,21,22,23,24)/t13-,14-,15+,19-/m0/s1.

What are the key properties of (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

(1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 131892692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).