(4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine

C21H19FN4O2 — CID 67346114

IUPAC(4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine
SMILESCOc1ccc([C@]2(c3cc(F)cc(-c4cncnc4)c3)COC(N)=N2)cc1C
InChIInChI=1S/C21H19FN4O2/c1-13-5-16(3-4-19(13)27-2)21(11-28-20(23)26-21)17-6-14(7-18(22)8-17)15-9-24-12-25-10-15/h3-10,12H,11H2,1-2H3,(H2,23,26)/t21-/m0/s1
InChIKeyPQQKHRVIUAUQKO-NRFANRHFSA-N
MW378.41 g/mol
LogP3.19
Rot. Bonds4

About (4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine

(4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine (PubChem CID 67346114) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is (4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine
PubChem CID67346114
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name(4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine
SMILESCOc1ccc([C@]2(c3cc(F)cc(-c4cncnc4)c3)COC(N)=N2)cc1C
InChIInChI=1S/C21H19FN4O2/c1-13-5-16(3-4-19(13)27-2)21(11-28-20(23)26-21)17-6-14(7-18(22)8-17)15-9-24-12-25-10-15/h3-10,12H,11H2,1-2H3,(H2,23,26)/t21-/m0/s1
InChIKeyPQQKHRVIUAUQKO-NRFANRHFSA-N
XLogP3.19
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine with MolForge

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Related Compounds

(4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine
CID 67347062
(4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine
CID 67348182
4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67347587
4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine
CID 123175172
4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67349260
(4S)-4-(3-chloro-4-methoxyphenyl)-4-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazol-2-amine
CID 67345997
(4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine
CID 68626396
4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;4-(4-methoxy-3-methylphenyl)-4-[3-(3-methoxyphenyl)phenyl]-5H-1,3-oxazol-2-amine
CID 161115031
(4S)-4-[3-(6-chloropyrazin-2-yl)phenyl]-4-[4-(difluoromethoxy)-3-methylphenyl]-5H-1,3-oxazol-2-amine
CID 87365954
4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrazin-2-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67345684
4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol
CID 143850366
3-(4-methoxy-3-methylphenyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine;2,2,2-trifluoroacetic acid
CID 24875042

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine (CID 67346114) is (4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine is COc1ccc([C@]2(c3cc(F)cc(-c4cncnc4)c3)COC(N)=N2)cc1C.
What is the InChIKey of (4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine?
The InChIKey is PQQKHRVIUAUQKO-NRFANRHFSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-13-5-16(3-4-19(13)27-2)21(11-28-20(23)26-21)17-6-14(7-18(22)8-17)15-9-24-12-25-10-15/h3-10,12H,11H2,1-2H3,(H2,23,26)/t21-/m0/s1.
What are the key properties of (4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine?
(4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine has a molecular weight of 378.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 67346114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).