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2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol

C22H23FN4O2 — CID 18693332

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(CNC2=NCC(O)CN2)no1
InChIInChI=1S/C22H23FN4O2/c1-14(16-7-8-19(20(23)9-16)15-5-3-2-4-6-15)21-10-17(27-29-21)11-24-22-25-12-18(28)13-26-22/h2-10,14,18,28H,11-13H2,1H3,(H2,24,25,26)
InChIKeyRHPVGFUMEOBYRO-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.04
Rot. Bonds5

About 2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol

2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol (PubChem CID 18693332) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol.

Molecular Properties

Compound Name2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol
PubChem CID18693332
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(CNC2=NCC(O)CN2)no1
InChIInChI=1S/C22H23FN4O2/c1-14(16-7-8-19(20(23)9-16)15-5-3-2-4-6-15)21-10-17(27-29-21)11-24-22-25-12-18(28)13-26-22/h2-10,14,18,28H,11-13H2,1H3,(H2,24,25,26)
InChIKeyRHPVGFUMEOBYRO-UHFFFAOYSA-N
XLogP3.04
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol?
The IUPAC name of 2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol (CID 18693332) is 2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol.
What is the SMILES notation for 2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol?
The canonical SMILES for 2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol is CC(c1ccc(-c2ccccc2)c(F)c1)c1cc(CNC2=NCC(O)CN2)no1.
What is the InChIKey of 2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol?
The InChIKey is RHPVGFUMEOBYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14(16-7-8-19(20(23)9-16)15-5-3-2-4-6-15)21-10-17(27-29-21)11-24-22-25-12-18(28)13-26-22/h2-10,14,18,28H,11-13H2,1H3,(H2,24,25,26).
What are the key properties of 2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol?
2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol has a molecular weight of 394.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol is sourced from PubChem (CID 18693332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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