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

C22H22N4O2 — CID 67347062

IUPAC(4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine
SMILESCCOc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)COC(N)=N2)cc1C
InChIInChI=1S/C22H22N4O2/c1-3-27-20-8-7-19(9-15(20)2)22(13-28-21(23)26-22)18-6-4-5-16(10-18)17-11-24-14-25-12-17/h4-12,14H,3,13H2,1-2H3,(H2,23,26)/t22-/m0/s1
InChIKeyARMXCPZVAPNKHT-QFIPXVFZSA-N
MW374.44 g/mol
LogP3.44
Rot. Bonds5

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

(4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine (PubChem CID 67347062) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine
PubChem CID67347062
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine
SMILESCCOc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)COC(N)=N2)cc1C
InChIInChI=1S/C22H22N4O2/c1-3-27-20-8-7-19(9-15(20)2)22(13-28-21(23)26-22)18-6-4-5-16(10-18)17-11-24-14-25-12-17/h4-12,14H,3,13H2,1-2H3,(H2,23,26)/t22-/m0/s1
InChIKeyARMXCPZVAPNKHT-QFIPXVFZSA-N
XLogP3.44
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67347587
4-[3-(3-chlorophenyl)phenyl]-4-(4-ethoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine;methanol
CID 143850366
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-fluoro-5-pyrimidin-5-ylphenyl)-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-amine
CID 67346114
(4S)-4-[4-(difluoromethoxy)-3-methylphenyl]-4-[3-(ethoxymethyl)-5-pyrimidin-5-ylphenyl]-5H-1,3-oxazol-2-amine
CID 67348182
4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrazin-2-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67345684
(4S)-4-[3-(6-chloropyrazin-2-yl)phenyl]-4-[4-(difluoromethoxy)-3-methylphenyl]-5H-1,3-oxazol-2-amine
CID 87365954
4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine
CID 123175172
[[4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364471
(4S)-4-(4-methoxy-3-methylphenyl)-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-5H-1,3-oxazol-2-amine
CID 68626396
4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane
CID 143850368
4-(3-fluoro-4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67349260

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine (CID 67347062) is (4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine is CCOc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)COC(N)=N2)cc1C.
What is the InChIKey of (4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine?
The InChIKey is ARMXCPZVAPNKHT-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-27-20-8-7-19(9-15(20)2)22(13-28-21(23)26-22)18-6-4-5-16(10-18)17-11-24-14-25-12-17/h4-12,14H,3,13H2,1-2H3,(H2,23,26)/t22-/m0/s1.
What are the key properties of (4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine?
(4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine has a molecular weight of 374.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 67347062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).