N-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine

C20H15N5O2 — CID 86292769

IUPACN-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(Nc3cc(Oc4ccc5[nH]ccc5c4)ncn3)ccc2o1
InChIInChI=1S/C20H15N5O2/c1-12-24-17-9-14(2-5-18(17)26-12)25-19-10-20(23-11-22-19)27-15-3-4-16-13(8-15)6-7-21-16/h2-11,21H,1H3,(H,22,23,25)
InChIKeyZTHMEOQIXGNBDE-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.94
Rot. Bonds4

About N-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine

N-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine (PubChem CID 86292769) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine
PubChem CID86292769
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC NameN-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(Nc3cc(Oc4ccc5[nH]ccc5c4)ncn3)ccc2o1
InChIInChI=1S/C20H15N5O2/c1-12-24-17-9-14(2-5-18(17)26-12)25-19-10-20(23-11-22-19)27-15-3-4-16-13(8-15)6-7-21-16/h2-11,21H,1H3,(H,22,23,25)
InChIKeyZTHMEOQIXGNBDE-UHFFFAOYSA-N
XLogP4.94
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine?
The IUPAC name of N-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine (CID 86292769) is N-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine is Cc1nc2cc(Nc3cc(Oc4ccc5[nH]ccc5c4)ncn3)ccc2o1.
What is the InChIKey of N-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine?
The InChIKey is ZTHMEOQIXGNBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-12-24-17-9-14(2-5-18(17)26-12)25-19-10-20(23-11-22-19)27-15-3-4-16-13(8-15)6-7-21-16/h2-11,21H,1H3,(H,22,23,25).
What are the key properties of N-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine?
N-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine has a molecular weight of 357.37 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indol-5-yloxy)pyrimidin-4-yl]-2-methyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 86292769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).