oxolan-2-ylmethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C17H20N2O5 — CID 2854818

IUPACoxolan-2-ylmethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OCC2CCCO2)C(c2cccc(O)c2)NC(=O)N1
InChIInChI=1S/C17H20N2O5/c1-10-14(16(21)24-9-13-6-3-7-23-13)15(19-17(22)18-10)11-4-2-5-12(20)8-11/h2,4-5,8,13,15,20H,3,6-7,9H2,1H3,(H2,18,19,22)
InChIKeyDZQBNFARQGEVBK-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.74
Rot. Bonds4

About oxolan-2-ylmethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

oxolan-2-ylmethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 2854818) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is oxolan-2-ylmethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID2854818
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Nameoxolan-2-ylmethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OCC2CCCO2)C(c2cccc(O)c2)NC(=O)N1
InChIInChI=1S/C17H20N2O5/c1-10-14(16(21)24-9-13-6-3-7-23-13)15(19-17(22)18-10)11-4-2-5-12(20)8-11/h2,4-5,8,13,15,20H,3,6-7,9H2,1H3,(H2,18,19,22)
InChIKeyDZQBNFARQGEVBK-UHFFFAOYSA-N
XLogP1.74
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 2854818) is oxolan-2-ylmethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CC1=C(C(=O)OCC2CCCO2)C(c2cccc(O)c2)NC(=O)N1.
What is the InChIKey of oxolan-2-ylmethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is DZQBNFARQGEVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-10-14(16(21)24-9-13-6-3-7-23-13)15(19-17(22)18-10)11-4-2-5-12(20)8-11/h2,4-5,8,13,15,20H,3,6-7,9H2,1H3,(H2,18,19,22).
What are the key properties of oxolan-2-ylmethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
oxolan-2-ylmethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2854818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).