N-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine

C25H28N4O2 — CID 42212671

IUPACN-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN(Cc1cnn(C)c1)C(C)C
InChIInChI=1S/C25H28N4O2/c1-18(2)29(16-20-14-26-28(4)15-20)17-24-19(3)30-25(27-24)21-9-8-12-23(13-21)31-22-10-6-5-7-11-22/h5-15,18H,16-17H2,1-4H3
InChIKeyHWHHMSMAAZOKLI-UHFFFAOYSA-N
MW416.53 g/mol
LogP5.59
Rot. Bonds8

About N-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine

N-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 42212671) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID42212671
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN(Cc1cnn(C)c1)C(C)C
InChIInChI=1S/C25H28N4O2/c1-18(2)29(16-20-14-26-28(4)15-20)17-24-19(3)30-25(27-24)21-9-8-12-23(13-21)31-22-10-6-5-7-11-22/h5-15,18H,16-17H2,1-4H3
InChIKeyHWHHMSMAAZOKLI-UHFFFAOYSA-N
XLogP5.59
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine (CID 42212671) is N-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine is Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN(Cc1cnn(C)c1)C(C)C.
What is the InChIKey of N-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is HWHHMSMAAZOKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18(2)29(16-20-14-26-28(4)15-20)17-24-19(3)30-25(27-24)21-9-8-12-23(13-21)31-22-10-6-5-7-11-22/h5-15,18H,16-17H2,1-4H3.
What are the key properties of N-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine?
N-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 416.53 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 42212671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).