3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide

C21H20N4O7 — CID 53209333

IUPAC3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cc(-c2cc(NC(=O)c3c(C)oc4ncn(C)c(=O)c34)on2)cc(OC)c1OC
InChIInChI=1S/C21H20N4O7/c1-10-16(17-20(31-10)22-9-25(2)21(17)27)19(26)23-15-8-12(24-32-15)11-6-13(28-3)18(30-5)14(7-11)29-4/h6-9H,1-5H3,(H,23,26)
InChIKeySBNWURLFBHZSMH-UHFFFAOYSA-N
MW440.41 g/mol
LogP2.77
Rot. Bonds6

About 3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide

3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53209333) has the molecular formula C21H20N4O7 and a molecular weight of 440.41 g/mol. Its IUPAC name is 3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID53209333
Molecular FormulaC21H20N4O7
Molecular Weight440.41 g/mol
Exact Mass440.13
IUPAC Name3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cc(-c2cc(NC(=O)c3c(C)oc4ncn(C)c(=O)c34)on2)cc(OC)c1OC
InChIInChI=1S/C21H20N4O7/c1-10-16(17-20(31-10)22-9-25(2)21(17)27)19(26)23-15-8-12(24-32-15)11-6-13(28-3)18(30-5)14(7-11)29-4/h6-9H,1-5H3,(H,23,26)
InChIKeySBNWURLFBHZSMH-UHFFFAOYSA-N
XLogP2.77
TPSA130.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3,6-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 29231564
N-(4-chloro-2-methoxy-5-methylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 35533144
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 32735662
N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 35997703
N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 40660482
N-[(3-methoxy-4-propoxyphenyl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55635299
N-[6-(dimethylamino)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 30295845
3,6-dimethyl-4-oxo-N-[3-(2-thiophen-2-ylethynyl)phenyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 43048186
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949926
N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209384
2-benzyl-3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
CID 119233863
3-methyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]amino]butanoic acid
CID 5004859

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide (CID 53209333) is 3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide is COc1cc(-c2cc(NC(=O)c3c(C)oc4ncn(C)c(=O)c34)on2)cc(OC)c1OC.
What is the InChIKey of 3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is SBNWURLFBHZSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O7/c1-10-16(17-20(31-10)22-9-25(2)21(17)27)19(26)23-15-8-12(24-32-15)11-6-13(28-3)18(30-5)14(7-11)29-4/h6-9H,1-5H3,(H,23,26).
What are the key properties of 3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide?
3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 440.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-oxo-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53209333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).