2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone

C22H21NO4 — CID 60567622

IUPAC2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone
SMILESCc1ccc(OCc2ccc(C(=O)N3CCOc4ccccc43)o2)c(C)c1
InChIInChI=1S/C22H21NO4/c1-15-7-9-19(16(2)13-15)26-14-17-8-10-21(27-17)22(24)23-11-12-25-20-6-4-3-5-18(20)23/h3-10,13H,11-12,14H2,1-2H3
InChIKeyUWIBOYIHRMVUCW-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.51
Rot. Bonds4

About 2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone

2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone (PubChem CID 60567622) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone
PubChem CID60567622
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone
SMILESCc1ccc(OCc2ccc(C(=O)N3CCOc4ccccc43)o2)c(C)c1
InChIInChI=1S/C22H21NO4/c1-15-7-9-19(16(2)13-15)26-14-17-8-10-21(27-17)22(24)23-11-12-25-20-6-4-3-5-18(20)23/h3-10,13H,11-12,14H2,1-2H3
InChIKeyUWIBOYIHRMVUCW-UHFFFAOYSA-N
XLogP4.51
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone (CID 60567622) is 2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone is Cc1ccc(OCc2ccc(C(=O)N3CCOc4ccccc43)o2)c(C)c1.
What is the InChIKey of 2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone?
The InChIKey is UWIBOYIHRMVUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-15-7-9-19(16(2)13-15)26-14-17-8-10-21(27-17)22(24)23-11-12-25-20-6-4-3-5-18(20)23/h3-10,13H,11-12,14H2,1-2H3.
What are the key properties of 2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone?
2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone has a molecular weight of 363.41 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzoxazin-4-yl-[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 60567622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).