(4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine

C22H19ClN2O — CID 67347783

IUPAC(4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine
SMILESCc1cccc([C@]2(c3cccc(-c4cccc(Cl)c4)c3)COC(N)=N2)c1
InChIInChI=1S/C22H19ClN2O/c1-15-5-2-8-18(11-15)22(14-26-21(24)25-22)19-9-3-6-16(12-19)17-7-4-10-20(23)13-17/h2-13H,14H2,1H3,(H2,24,25)/t22-/m0/s1
InChIKeyRLNHXGUSYSEYPD-QFIPXVFZSA-N
MW362.86 g/mol
LogP4.90
Rot. Bonds3

About (4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine

(4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine (PubChem CID 67347783) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is (4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine
PubChem CID67347783
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name(4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine
SMILESCc1cccc([C@]2(c3cccc(-c4cccc(Cl)c4)c3)COC(N)=N2)c1
InChIInChI=1S/C22H19ClN2O/c1-15-5-2-8-18(11-15)22(14-26-21(24)25-22)19-9-3-6-16(12-19)17-7-4-10-20(23)13-17/h2-13H,14H2,1H3,(H2,24,25)/t22-/m0/s1
InChIKeyRLNHXGUSYSEYPD-QFIPXVFZSA-N
XLogP4.90
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine
CID 123175172
(4S)-4-[3-(3-chlorophenyl)phenyl]-4-cyclohexa-2,4-dien-1-yl-5H-1,3-oxazol-2-amine
CID 70989732
(4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine
CID 67347062
4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine
CID 143850363
(4S)-4-[3-(6-chloropyrazin-2-yl)phenyl]-4-[4-(difluoromethoxy)-3-methylphenyl]-5H-1,3-oxazol-2-amine
CID 87365954
[[4-[3-(3-chlorophenyl)phenyl]-4-(4-methoxy-3-methylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87365560
formic acid;4-(4-methoxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine
CID 67347084
4-[3-(6-fluoro-3-pyridinyl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine;propane
CID 143850368
4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67347587
CID 89180418
CID 89180418

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine (CID 67347783) is (4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine is Cc1cccc([C@]2(c3cccc(-c4cccc(Cl)c4)c3)COC(N)=N2)c1.
What is the InChIKey of (4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine?
The InChIKey is RLNHXGUSYSEYPD-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-15-5-2-8-18(11-15)22(14-26-21(24)25-22)19-9-3-6-16(12-19)17-7-4-10-20(23)13-17/h2-13H,14H2,1H3,(H2,24,25)/t22-/m0/s1.
What are the key properties of (4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine?
(4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine has a molecular weight of 362.86 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-(3-chlorophenyl)phenyl]-4-(3-methylphenyl)-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 67347783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).