1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

C20H21N3O5 — CID 91887174

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCCOc1ccc(C2NC(=O)N(Cc3c(C)noc3C)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C20H21N3O5/c1-4-26-14-7-5-13(6-8-14)18-17-16(10-27-19(17)24)23(20(25)21-18)9-15-11(2)22-28-12(15)3/h5-8,18H,4,9-10H2,1-3H3,(H,21,25)
InChIKeyDGHUTKWYSWHXAF-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.77
Rot. Bonds5

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (PubChem CID 91887174) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
PubChem CID91887174
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCCOc1ccc(C2NC(=O)N(Cc3c(C)noc3C)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C20H21N3O5/c1-4-26-14-7-5-13(6-8-14)18-17-16(10-27-19(17)24)23(20(25)21-18)9-15-11(2)22-28-12(15)3/h5-8,18H,4,9-10H2,1-3H3,(H,21,25)
InChIKeyDGHUTKWYSWHXAF-UHFFFAOYSA-N
XLogP2.77
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (CID 91887174) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is CCOc1ccc(C2NC(=O)N(Cc3c(C)noc3C)C3=C2C(=O)OC3)cc1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is DGHUTKWYSWHXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-4-26-14-7-5-13(6-8-14)18-17-16(10-27-19(17)24)23(20(25)21-18)9-15-11(2)22-28-12(15)3/h5-8,18H,4,9-10H2,1-3H3,(H,21,25).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 383.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 91887174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).