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

C18H18N4O5 — CID 91887180

IUPAC4-(4-ethoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCCOc1ccc(C2NC(=O)N(Cc3nnc(C)o3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C18H18N4O5/c1-3-25-12-6-4-11(5-7-12)16-15-13(9-26-17(15)23)22(18(24)19-16)8-14-21-20-10(2)27-14/h4-7,16H,3,8-9H2,1-2H3,(H,19,24)
InChIKeyLKVHKSJMEAOJCR-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.85
Rot. Bonds5

About 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

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 (PubChem CID 91887180) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
PubChem CID91887180
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name4-(4-ethoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCCOc1ccc(C2NC(=O)N(Cc3nnc(C)o3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C18H18N4O5/c1-3-25-12-6-4-11(5-7-12)16-15-13(9-26-17(15)23)22(18(24)19-16)8-14-21-20-10(2)27-14/h4-7,16H,3,8-9H2,1-2H3,(H,19,24)
InChIKeyLKVHKSJMEAOJCR-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

2-[(4R)-4-(4-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125128970
(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
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
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
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
(4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 125128449
2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 110655535
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
2-[(4R)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N,N-dipropylacetamide
CID 125128562
4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4920498

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1ccc(C2NC(=O)N(Cc3nnc(C)o3)C3=C2C(=O)OC3)cc1.
What is the InChIKey of 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?
The InChIKey is LKVHKSJMEAOJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-3-25-12-6-4-11(5-7-12)16-15-13(9-26-17(15)23)22(18(24)19-16)8-14-21-20-10(2)27-14/h4-7,16H,3,8-9H2,1-2H3,(H,19,24).
What are the key properties of 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?
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 has a molecular weight of 370.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91887180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).