4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine

C19H14ClN5O2 — CID 22459751

IUPAC4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2nc(Cl)nc(-c3ccccc3)n2)ccc1-c1cnco1
InChIInChI=1S/C19H14ClN5O2/c1-26-15-9-13(7-8-14(15)16-10-21-11-27-16)22-19-24-17(23-18(20)25-19)12-5-3-2-4-6-12/h2-11H,1H3,(H,22,23,24,25)
InChIKeyBGFPHVLKYKORJR-UHFFFAOYSA-N
MW379.81 g/mol
LogP4.60
Rot. Bonds5

About 4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine

4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 22459751) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine
PubChem CID22459751
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2nc(Cl)nc(-c3ccccc3)n2)ccc1-c1cnco1
InChIInChI=1S/C19H14ClN5O2/c1-26-15-9-13(7-8-14(15)16-10-21-11-27-16)22-19-24-17(23-18(20)25-19)12-5-3-2-4-6-12/h2-11H,1H3,(H,22,23,24,25)
InChIKeyBGFPHVLKYKORJR-UHFFFAOYSA-N
XLogP4.60
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine (CID 22459751) is 4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine is COc1cc(Nc2nc(Cl)nc(-c3ccccc3)n2)ccc1-c1cnco1.
What is the InChIKey of 4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine?
The InChIKey is BGFPHVLKYKORJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c1-26-15-9-13(7-8-14(15)16-10-21-11-27-16)22-19-24-17(23-18(20)25-19)12-5-3-2-4-6-12/h2-11H,1H3,(H,22,23,24,25).
What are the key properties of 4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine?
4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 379.81 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 22459751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).