1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one

C24H18N4O3 — CID 18558806

IUPAC1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one
SMILESO=c1nc(NCc2ccco2)ccn1-c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C24H18N4O3/c29-24-26-20(25-16-19-12-7-15-30-19)13-14-28(24)22-21(17-8-3-1-4-9-17)31-23(27-22)18-10-5-2-6-11-18/h1-15H,16H2,(H,25,26,29)
InChIKeyPUCAKFGZGHJZLC-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.76
Rot. Bonds6

About 1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one

1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one (PubChem CID 18558806) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one.

Molecular Properties

Compound Name1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one
PubChem CID18558806
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one
SMILESO=c1nc(NCc2ccco2)ccn1-c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C24H18N4O3/c29-24-26-20(25-16-19-12-7-15-30-19)13-14-28(24)22-21(17-8-3-1-4-9-17)31-23(27-22)18-10-5-2-6-11-18/h1-15H,16H2,(H,25,26,29)
InChIKeyPUCAKFGZGHJZLC-UHFFFAOYSA-N
XLogP4.76
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915230
6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170122
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273
1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine
CID 122168918
N-(furan-2-ylmethyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880103
5-(furan-2-yl)-N-(furan-2-ylmethyl)-6-phenylfuro[2,3-d]pyrimidin-4-amine
CID 58373549
4-cyclopropyl-1-[2-phenyl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]pyrimidin-2-one
CID 177328810
N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3314360
6-N-butyl-4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112879724
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932522
5-methyl-2,6-diphenyl-1,3-oxazin-4-one
CID 13028435
[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone
CID 3974873

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one?
The IUPAC name of 1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one (CID 18558806) is 1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one.
What is the SMILES notation for 1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one?
The canonical SMILES for 1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one is O=c1nc(NCc2ccco2)ccn1-c1nc(-c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of 1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one?
The InChIKey is PUCAKFGZGHJZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c29-24-26-20(25-16-19-12-7-15-30-19)13-14-28(24)22-21(17-8-3-1-4-9-17)31-23(27-22)18-10-5-2-6-11-18/h1-15H,16H2,(H,25,26,29).
What are the key properties of 1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one?
1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one has a molecular weight of 410.43 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diphenyl-1,3-oxazol-4-yl)-4-(furan-2-ylmethylamino)pyrimidin-2-one is sourced from PubChem (CID 18558806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).