1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

C18H18N4O5 — CID 91887153

IUPAC1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCCc1nc(CN2C(=O)NC(c3ccc(OC)cc3)C3=C2COC3=O)no1
InChIInChI=1S/C18H18N4O5/c1-3-14-19-13(21-27-14)8-22-12-9-26-17(23)15(12)16(20-18(22)24)10-4-6-11(25-2)7-5-10/h4-7,16H,3,8-9H2,1-2H3,(H,20,24)
InChIKeyTTWIVQYRFIOCIT-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.72
Rot. Bonds5

About 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (PubChem CID 91887153) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
PubChem CID91887153
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCCc1nc(CN2C(=O)NC(c3ccc(OC)cc3)C3=C2COC3=O)no1
InChIInChI=1S/C18H18N4O5/c1-3-14-19-13(21-27-14)8-22-12-9-26-17(23)15(12)16(20-18(22)24)10-4-6-11(25-2)7-5-10/h4-7,16H,3,8-9H2,1-2H3,(H,20,24)
InChIKeyTTWIVQYRFIOCIT-UHFFFAOYSA-N
XLogP1.72
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione with MolForge

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Related Compounds

1-ethyl-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 91887145
N,N-diethyl-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125128634
4-(4-ethoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 91887180
(4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 42586388
N-butyl-N-ethyl-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125126489
2-[(4S)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
CID 99745334
1-[(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)methyl]-4-thiophen-2-yl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 91887101
(4R)-1-butyl-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 99745340
(4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 99745348
2-[(4R)-4-(4-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125128970
N-(4-methoxyphenyl)-2-[(4S)-4-(4-methylsulfanylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 95394611
N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylsulfanylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 53365706

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (CID 91887153) is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is CCc1nc(CN2C(=O)NC(c3ccc(OC)cc3)C3=C2COC3=O)no1.
What is the InChIKey of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is TTWIVQYRFIOCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-3-14-19-13(21-27-14)8-22-12-9-26-17(23)15(12)16(20-18(22)24)10-4-6-11(25-2)7-5-10/h4-7,16H,3,8-9H2,1-2H3,(H,20,24).
What are the key properties of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 370.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 91887153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).