3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one

C27H28N2O6 — CID 24524950

IUPAC3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
SMILESCOc1ccc(-c2ccc(CCC(=O)N3CC(C(=O)N4CCOCC4)Oc4ccccc43)o2)cc1
InChIInChI=1S/C27H28N2O6/c1-32-20-8-6-19(7-9-20)23-12-10-21(34-23)11-13-26(30)29-18-25(27(31)28-14-16-33-17-15-28)35-24-5-3-2-4-22(24)29/h2-10,12,25H,11,13-18H2,1H3
InChIKeyJFPSAQBCCVYAKW-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.54
Rot. Bonds6

About 3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one

3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one (PubChem CID 24524950) has the molecular formula C27H28N2O6 and a molecular weight of 476.53 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
PubChem CID24524950
Molecular FormulaC27H28N2O6
Molecular Weight476.53 g/mol
Exact Mass476.19
IUPAC Name3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
SMILESCOc1ccc(-c2ccc(CCC(=O)N3CC(C(=O)N4CCOCC4)Oc4ccccc43)o2)cc1
InChIInChI=1S/C27H28N2O6/c1-32-20-8-6-19(7-9-20)23-12-10-21(34-23)11-13-26(30)29-18-25(27(31)28-14-16-33-17-15-28)35-24-5-3-2-4-22(24)29/h2-10,12,25H,11,13-18H2,1H3
InChIKeyJFPSAQBCCVYAKW-UHFFFAOYSA-N
XLogP3.54
TPSA81.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one?
The IUPAC name of 3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one (CID 24524950) is 3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one?
The canonical SMILES for 3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one is COc1ccc(-c2ccc(CCC(=O)N3CC(C(=O)N4CCOCC4)Oc4ccccc43)o2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one?
The InChIKey is JFPSAQBCCVYAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O6/c1-32-20-8-6-19(7-9-20)23-12-10-21(34-23)11-13-26(30)29-18-25(27(31)28-14-16-33-17-15-28)35-24-5-3-2-4-22(24)29/h2-10,12,25H,11,13-18H2,1H3.
What are the key properties of 3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one?
3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one has a molecular weight of 476.53 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)furan-2-yl]-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one is sourced from PubChem (CID 24524950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).