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

C24H24N6O3 — CID 22459705

IUPAC2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2nc(NCC3CCCO3)nc(-c3ccccc3)n2)ccc1-c1cnco1
InChIInChI=1S/C24H24N6O3/c1-31-20-12-17(9-10-19(20)21-14-25-15-33-21)27-24-29-22(16-6-3-2-4-7-16)28-23(30-24)26-13-18-8-5-11-32-18/h2-4,6-7,9-10,12,14-15,18H,5,8,11,13H2,1H3,(H2,26,27,28,29,30)
InChIKeySTCIZXGYSUSEIR-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.54
Rot. Bonds8

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

2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 22459705) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-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-(oxolan-2-ylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID22459705
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2nc(NCC3CCCO3)nc(-c3ccccc3)n2)ccc1-c1cnco1
InChIInChI=1S/C24H24N6O3/c1-31-20-12-17(9-10-19(20)21-14-25-15-33-21)27-24-29-22(16-6-3-2-4-7-16)28-23(30-24)26-13-18-8-5-11-32-18/h2-4,6-7,9-10,12,14-15,18H,5,8,11,13H2,1H3,(H2,26,27,28,29,30)
InChIKeySTCIZXGYSUSEIR-UHFFFAOYSA-N
XLogP4.54
TPSA107.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine
CID 22459751
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine
CID 22459619
2-N-(4-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935671
1-[3-[[[(cyanoamino)-[[(2S)-oxolan-2-yl]methylamino]methylidene]amino]methyl]phenyl]-3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]urea
CID 10254969
[1-[4-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 10309646
2-N-(3,4-dimethylphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935650
4-bromo-3-methoxy-N-(oxolan-2-ylmethyl)aniline
CID 82858458
2-N-(4-methylphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935644
N-(1,3-dioxolan-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766594
2-N-(3-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine;hydrochloride
CID 2951909
4-chloro-N-(oxetan-2-ylmethyl)-6-phenyl-1,3,5-triazin-2-amine
CID 139270644
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112912558

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-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-(oxolan-2-ylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine (CID 22459705) is 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-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-(oxolan-2-ylmethyl)-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-(oxolan-2-ylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine is COc1cc(Nc2nc(NCC3CCCO3)nc(-c3ccccc3)n2)ccc1-c1cnco1.
What is the InChIKey of 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is STCIZXGYSUSEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-31-20-12-17(9-10-19(20)21-14-25-15-33-21)27-24-29-22(16-6-3-2-4-7-16)28-23(30-24)26-13-18-8-5-11-32-18/h2-4,6-7,9-10,12,14-15,18H,5,8,11,13H2,1H3,(H2,26,27,28,29,30).
What are the key properties of 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-(oxolan-2-ylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 444.50 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 9 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-(oxolan-2-ylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22459705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).