6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one

C24H30N2O5 — CID 4056070

IUPAC6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
SMILESCC1CN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(C)(C)C)cc43)o2)CC(C)O1
InChIInChI=1S/C24H30N2O5/c1-15-11-25(12-16(2)30-15)23(28)21-9-7-18(31-21)13-26-19-10-17(24(3,4)5)6-8-20(19)29-14-22(26)27/h6-10,15-16H,11-14H2,1-5H3
InChIKeyUSJZWMQEPZJYNO-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.75
Rot. Bonds3

About 6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one

6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one (PubChem CID 4056070) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
PubChem CID4056070
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
SMILESCC1CN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(C)(C)C)cc43)o2)CC(C)O1
InChIInChI=1S/C24H30N2O5/c1-15-11-25(12-16(2)30-15)23(28)21-9-7-18(31-21)13-26-19-10-17(24(3,4)5)6-8-20(19)29-14-22(26)27/h6-10,15-16H,11-14H2,1-5H3
InChIKeyUSJZWMQEPZJYNO-UHFFFAOYSA-N
XLogP3.75
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one with MolForge

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Related Compounds

4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one
CID 4308263
6-tert-butyl-4-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
CID 4571899
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-6-(2-methylbutan-2-yl)-1,4-benzoxazin-3-one
CID 4145466
4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one
CID 4573712
N-(2-methoxyethyl)-5-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide
CID 5222225
7-methyl-4-[[5-(pyrrolidine-1-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
CID 4557344
6-acetyl-4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
CID 3956137
5-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42788114
[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 4107349
6-[2-(4-fluorophenoxy)acetyl]-4-[[5-(morpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
CID 46034461
3-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(3-methylbutyl)benzamide
CID 4603306
5-[(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-butan-2-ylfuran-2-carboxamide
CID 3446856

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one?
The IUPAC name of 6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one (CID 4056070) is 6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one is CC1CN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(C)(C)C)cc43)o2)CC(C)O1.
What is the InChIKey of 6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one?
The InChIKey is USJZWMQEPZJYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-15-11-25(12-16(2)30-15)23(28)21-9-7-18(31-21)13-26-19-10-17(24(3,4)5)6-8-20(19)29-14-22(26)27/h6-10,15-16H,11-14H2,1-5H3.
What are the key properties of 6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one?
6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one has a molecular weight of 426.51 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 4056070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).