5-cyclopropyl-8-(difluoromethoxy)-1-(1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one

C18H17F2N3O4 — CID 52939505

IUPAC5-cyclopropyl-8-(difluoromethoxy)-1-(1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one
SMILESO=C(c1ccno1)N1CCC(=O)N(C2CC2)Cc2cc(OC(F)F)ccc21
InChIInChI=1S/C18H17F2N3O4/c19-18(20)26-13-3-4-14-11(9-13)10-23(12-1-2-12)16(24)6-8-22(14)17(25)15-5-7-21-27-15/h3-5,7,9,12,18H,1-2,6,8,10H2
InChIKeyDARIRHRIRIBSGS-UHFFFAOYSA-N
MW377.35 g/mol
LogP2.82
Rot. Bonds4

About 5-cyclopropyl-8-(difluoromethoxy)-1-(1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one

5-cyclopropyl-8-(difluoromethoxy)-1-(1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one (PubChem CID 52939505) has the molecular formula C18H17F2N3O4 and a molecular weight of 377.35 g/mol. Its IUPAC name is 5-cyclopropyl-8-(difluoromethoxy)-1-(1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one.

Molecular Properties

Compound Name5-cyclopropyl-8-(difluoromethoxy)-1-(1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one
PubChem CID52939505
Molecular FormulaC18H17F2N3O4
Molecular Weight377.35 g/mol
Exact Mass377.12
IUPAC Name5-cyclopropyl-8-(difluoromethoxy)-1-(1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one
SMILESO=C(c1ccno1)N1CCC(=O)N(C2CC2)Cc2cc(OC(F)F)ccc21
InChIInChI=1S/C18H17F2N3O4/c19-18(20)26-13-3-4-14-11(9-13)10-23(12-1-2-12)16(24)6-8-22(14)17(25)15-5-7-21-27-15/h3-5,7,9,12,18H,1-2,6,8,10H2
InChIKeyDARIRHRIRIBSGS-UHFFFAOYSA-N
XLogP2.82
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-8-(difluoromethoxy)-1-(1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one?
The IUPAC name of 5-cyclopropyl-8-(difluoromethoxy)-1-(1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one (CID 52939505) is 5-cyclopropyl-8-(difluoromethoxy)-1-(1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one.
What is the SMILES notation for 5-cyclopropyl-8-(difluoromethoxy)-1-(1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one?
The canonical SMILES for 5-cyclopropyl-8-(difluoromethoxy)-1-(1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one is O=C(c1ccno1)N1CCC(=O)N(C2CC2)Cc2cc(OC(F)F)ccc21.
What is the InChIKey of 5-cyclopropyl-8-(difluoromethoxy)-1-(1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one?
The InChIKey is DARIRHRIRIBSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O4/c19-18(20)26-13-3-4-14-11(9-13)10-23(12-1-2-12)16(24)6-8-22(14)17(25)15-5-7-21-27-15/h3-5,7,9,12,18H,1-2,6,8,10H2.
What are the key properties of 5-cyclopropyl-8-(difluoromethoxy)-1-(1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one?
5-cyclopropyl-8-(difluoromethoxy)-1-(1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one has a molecular weight of 377.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-8-(difluoromethoxy)-1-(1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one is sourced from PubChem (CID 52939505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).