methyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate

C16H20N2O5 — CID 56785921

IUPACmethyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
SMILESCOC(=O)C1CN(CCCN2CCOC2=O)c2ccccc2O1
InChIInChI=1S/C16H20N2O5/c1-21-15(19)14-11-18(12-5-2-3-6-13(12)23-14)8-4-7-17-9-10-22-16(17)20/h2-3,5-6,14H,4,7-11H2,1H3
InChIKeyIXGNTEPNZRJCTE-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.27
Rot. Bonds5

About methyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate

methyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate (PubChem CID 56785921) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
PubChem CID56785921
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Namemethyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
SMILESCOC(=O)C1CN(CCCN2CCOC2=O)c2ccccc2O1
InChIInChI=1S/C16H20N2O5/c1-21-15(19)14-11-18(12-5-2-3-6-13(12)23-14)8-4-7-17-9-10-22-16(17)20/h2-3,5-6,14H,4,7-11H2,1H3
InChIKeyIXGNTEPNZRJCTE-UHFFFAOYSA-N
XLogP1.27
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S)-4-[2-[di(propan-2-yl)amino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 95247536
methyl (2S)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 8564692
(2R)-4-methyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125170393
methyl 4-[(5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 42889980
methyl (2S)-4-(cyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 94014506
ethyl (2S)-4-benzyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 162859057
4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid
CID 119934699
4-(2,3-dihydro-1,4-benzoxazin-4-yl)butanoic acid
CID 119134717
4-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 173113216
(2S)-4-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 94032393
ethyl 4-(cyclohexa-1,5-dien-1-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 70611609
methyl (2R)-4-(2,2-diphenylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 9451729

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate?
The IUPAC name of methyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate (CID 56785921) is methyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate.
What is the SMILES notation for methyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate?
The canonical SMILES for methyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate is COC(=O)C1CN(CCCN2CCOC2=O)c2ccccc2O1.
What is the InChIKey of methyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate?
The InChIKey is IXGNTEPNZRJCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-21-15(19)14-11-18(12-5-2-3-6-13(12)23-14)8-4-7-17-9-10-22-16(17)20/h2-3,5-6,14H,4,7-11H2,1H3.
What are the key properties of methyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate?
methyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate is sourced from PubChem (CID 56785921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).