2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol

C21H21FN4O2 — CID 18693576

IUPAC2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N2CC(O)CN=C2N)on1
InChIInChI=1S/C21H21FN4O2/c1-13(15-7-8-17(18(22)9-15)14-5-3-2-4-6-14)19-10-20(28-25-19)26-12-16(27)11-24-21(26)23/h2-10,13,16,27H,11-12H2,1H3,(H2,23,24)
InChIKeyMEIWWRUSLKDLON-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.13
Rot. Bonds4

About 2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol

2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol (PubChem CID 18693576) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol.

Molecular Properties

Compound Name2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol
PubChem CID18693576
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N2CC(O)CN=C2N)on1
InChIInChI=1S/C21H21FN4O2/c1-13(15-7-8-17(18(22)9-15)14-5-3-2-4-6-14)19-10-20(28-25-19)26-12-16(27)11-24-21(26)23/h2-10,13,16,27H,11-12H2,1H3,(H2,23,24)
InChIKeyMEIWWRUSLKDLON-UHFFFAOYSA-N
XLogP3.13
TPSA87.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol?
The IUPAC name of 2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol (CID 18693576) is 2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol.
What is the SMILES notation for 2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol?
The canonical SMILES for 2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol is CC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N2CC(O)CN=C2N)on1.
What is the InChIKey of 2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol?
The InChIKey is MEIWWRUSLKDLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-13(15-7-8-17(18(22)9-15)14-5-3-2-4-6-14)19-10-20(28-25-19)26-12-16(27)11-24-21(26)23/h2-10,13,16,27H,11-12H2,1H3,(H2,23,24).
What are the key properties of 2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol?
2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol has a molecular weight of 380.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-5,6-dihydro-4H-pyrimidin-5-ol is sourced from PubChem (CID 18693576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).