2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine

C20H18N6O2 — CID 22459686

IUPAC2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H18N6O2/c1-21-19-24-18(13-6-4-3-5-7-13)25-20(26-19)23-14-8-9-15(16(10-14)27-2)17-11-22-12-28-17/h3-12H,1-2H3,(H2,21,23,24,25,26)
InChIKeyOXCAZDXESXMABA-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.99
Rot. Bonds6

About 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine

2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 22459686) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID22459686
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H18N6O2/c1-21-19-24-18(13-6-4-3-5-7-13)25-20(26-19)23-14-8-9-15(16(10-14)27-2)17-11-22-12-28-17/h3-12H,1-2H3,(H2,21,23,24,25,26)
InChIKeyOXCAZDXESXMABA-UHFFFAOYSA-N
XLogP3.99
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

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Avn 944
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tetrahydrofuran-3-yl N-[[3-[(3-methoxy-4-oxazol-5-yl-phenyl)carbamoylamino]phenyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine (CID 22459686) is 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OXCAZDXESXMABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-21-19-24-18(13-6-4-3-5-7-13)25-20(26-19)23-14-8-9-15(16(10-14)27-2)17-11-22-12-28-17/h3-12H,1-2H3,(H2,21,23,24,25,26).
What are the key properties of 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine?
2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 374.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22459686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).