(4-cyclopropyl-1,3-oxazol-5-yl)-(3,4-dihydro-2H-quinoxalin-1-yl)methanone

C15H15N3O2 — CID 154743124

IUPAC(4-cyclopropyl-1,3-oxazol-5-yl)-(3,4-dihydro-2H-quinoxalin-1-yl)methanone
SMILESO=C(c1ocnc1C1CC1)N1CCNc2ccccc21
InChIInChI=1S/C15H15N3O2/c19-15(14-13(10-5-6-10)17-9-20-14)18-8-7-16-11-3-1-2-4-12(11)18/h1-4,9-10,16H,5-8H2
InChIKeyKELKQWLAYBJJKD-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.62
Rot. Bonds2

About (4-cyclopropyl-1,3-oxazol-5-yl)-(3,4-dihydro-2H-quinoxalin-1-yl)methanone

(4-cyclopropyl-1,3-oxazol-5-yl)-(3,4-dihydro-2H-quinoxalin-1-yl)methanone (PubChem CID 154743124) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (4-cyclopropyl-1,3-oxazol-5-yl)-(3,4-dihydro-2H-quinoxalin-1-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-1,3-oxazol-5-yl)-(3,4-dihydro-2H-quinoxalin-1-yl)methanone
PubChem CID154743124
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(4-cyclopropyl-1,3-oxazol-5-yl)-(3,4-dihydro-2H-quinoxalin-1-yl)methanone
SMILESO=C(c1ocnc1C1CC1)N1CCNc2ccccc21
InChIInChI=1S/C15H15N3O2/c19-15(14-13(10-5-6-10)17-9-20-14)18-8-7-16-11-3-1-2-4-12(11)18/h1-4,9-10,16H,5-8H2
InChIKeyKELKQWLAYBJJKD-UHFFFAOYSA-N
XLogP2.62
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-1,3-oxazol-5-yl)-(3,4-dihydro-2H-quinoxalin-1-yl)methanone?
The IUPAC name of (4-cyclopropyl-1,3-oxazol-5-yl)-(3,4-dihydro-2H-quinoxalin-1-yl)methanone (CID 154743124) is (4-cyclopropyl-1,3-oxazol-5-yl)-(3,4-dihydro-2H-quinoxalin-1-yl)methanone.
What is the SMILES notation for (4-cyclopropyl-1,3-oxazol-5-yl)-(3,4-dihydro-2H-quinoxalin-1-yl)methanone?
The canonical SMILES for (4-cyclopropyl-1,3-oxazol-5-yl)-(3,4-dihydro-2H-quinoxalin-1-yl)methanone is O=C(c1ocnc1C1CC1)N1CCNc2ccccc21.
What is the InChIKey of (4-cyclopropyl-1,3-oxazol-5-yl)-(3,4-dihydro-2H-quinoxalin-1-yl)methanone?
The InChIKey is KELKQWLAYBJJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(14-13(10-5-6-10)17-9-20-14)18-8-7-16-11-3-1-2-4-12(11)18/h1-4,9-10,16H,5-8H2.
What are the key properties of (4-cyclopropyl-1,3-oxazol-5-yl)-(3,4-dihydro-2H-quinoxalin-1-yl)methanone?
(4-cyclopropyl-1,3-oxazol-5-yl)-(3,4-dihydro-2H-quinoxalin-1-yl)methanone has a molecular weight of 269.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-1,3-oxazol-5-yl)-(3,4-dihydro-2H-quinoxalin-1-yl)methanone is sourced from PubChem (CID 154743124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).