methyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate

C15H15NO4 — CID 33449348

IUPACmethyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCOc3ccccc32)o1
InChIInChI=1S/C15H15NO4/c1-18-15(17)14-7-6-11(20-14)10-16-8-9-19-13-5-3-2-4-12(13)16/h2-7H,8-10H2,1H3
InChIKeyXRCUTHATYDVDTJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.47
Rot. Bonds3

About methyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate

methyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate (PubChem CID 33449348) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate
PubChem CID33449348
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCOc3ccccc32)o1
InChIInChI=1S/C15H15NO4/c1-18-15(17)14-7-6-11(20-14)10-16-8-9-19-13-5-3-2-4-12(13)16/h2-7H,8-10H2,1H3
InChIKeyXRCUTHATYDVDTJ-UHFFFAOYSA-N
XLogP2.47
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-1,3-thiazol-2-yl]benzoate
CID 71881274
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-2-methoxyphenol
CID 117219975
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110754901
5-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]furan-2-carboxylic acid
CID 82025087
methyl 5-[(2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-1'-yl)methyl]furan-2-carboxylate
CID 59352736
methyl 4-[(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoate
CID 82345508
2-chloro-5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)aniline
CID 117221511
2-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenoxy]acetamide
CID 39746115
methyl 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)furan-2-carboxylate
CID 7457846
methyl 5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]methyl]furan-2-carboxylate
CID 39903202
4-[(2-ethylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine
CID 91648376

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate (CID 33449348) is methyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate is COC(=O)c1ccc(CN2CCOc3ccccc32)o1.
What is the InChIKey of methyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate?
The InChIKey is XRCUTHATYDVDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-18-15(17)14-7-6-11(20-14)10-16-8-9-19-13-5-3-2-4-12(13)16/h2-7H,8-10H2,1H3.
What are the key properties of methyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate?
methyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)furan-2-carboxylate is sourced from PubChem (CID 33449348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).