N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine

C20H21N3O2 — CID 134605229

IUPACN-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine
SMILESCc1cc(Nc2ncc(-c3ccccc3)o2)cc(N2CCOCC2)c1
InChIInChI=1S/C20H21N3O2/c1-15-11-17(13-18(12-15)23-7-9-24-10-8-23)22-20-21-14-19(25-20)16-5-3-2-4-6-16/h2-6,11-14H,7-10H2,1H3,(H,21,22)
InChIKeyTZYZPVNXIHJFDK-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.23
Rot. Bonds4

About N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine

N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine (PubChem CID 134605229) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine
PubChem CID134605229
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine
SMILESCc1cc(Nc2ncc(-c3ccccc3)o2)cc(N2CCOCC2)c1
InChIInChI=1S/C20H21N3O2/c1-15-11-17(13-18(12-15)23-7-9-24-10-8-23)22-20-21-14-19(25-20)16-5-3-2-4-6-16/h2-6,11-14H,7-10H2,1H3,(H,21,22)
InChIKeyTZYZPVNXIHJFDK-UHFFFAOYSA-N
XLogP4.23
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine?
The IUPAC name of N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine (CID 134605229) is N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine?
The canonical SMILES for N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine is Cc1cc(Nc2ncc(-c3ccccc3)o2)cc(N2CCOCC2)c1.
What is the InChIKey of N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine?
The InChIKey is TZYZPVNXIHJFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-11-17(13-18(12-15)23-7-9-24-10-8-23)22-20-21-14-19(25-20)16-5-3-2-4-6-16/h2-6,11-14H,7-10H2,1H3,(H,21,22).
What are the key properties of N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine?
N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine has a molecular weight of 335.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine is sourced from PubChem (CID 134605229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).