(7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone

C14H12F2N2O3 — CID 122153036

IUPAC(7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCOc3c2ccc(F)c3F)c(C)o1
InChIInChI=1S/C14H12F2N2O3/c1-7-12(17-8(2)21-7)14(19)18-5-6-20-13-10(18)4-3-9(15)11(13)16/h3-4H,5-6H2,1-2H3
InChIKeyWNBQBIINKZAQNS-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.61
Rot. Bonds1

About (7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone

(7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone (PubChem CID 122153036) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is (7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
PubChem CID122153036
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC Name(7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCOc3c2ccc(F)c3F)c(C)o1
InChIInChI=1S/C14H12F2N2O3/c1-7-12(17-8(2)21-7)14(19)18-5-6-20-13-10(18)4-3-9(15)11(13)16/h3-4H,5-6H2,1-2H3
InChIKeyWNBQBIINKZAQNS-UHFFFAOYSA-N
XLogP2.61
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of (7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone (CID 122153036) is (7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for (7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for (7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone is Cc1nc(C(=O)N2CCOc3c2ccc(F)c3F)c(C)o1.
What is the InChIKey of (7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
The InChIKey is WNBQBIINKZAQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c1-7-12(17-8(2)21-7)14(19)18-5-6-20-13-10(18)4-3-9(15)11(13)16/h3-4H,5-6H2,1-2H3.
What are the key properties of (7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
(7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone has a molecular weight of 294.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 122153036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).