4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine

C17H15N5O2 — CID 170627055

IUPAC4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine
SMILES[2H]C([2H])([2H])Nc1ncc(-c2nc3cc(OC([2H])([2H])[2H])ccc3o2)c2cc(N)ncc12
InChIInChI=1S/C17H15N5O2/c1-19-16-11-7-20-15(18)6-10(11)12(8-21-16)17-22-13-5-9(23-2)3-4-14(13)24-17/h3-8H,1-2H3,(H2,18,20)(H,19,21)/i1D3,2D3
InChIKeyOFPFDPDHTATWFC-WFGJKAKNSA-N
MW327.38 g/mol
LogP3.07
Rot. Bonds5

About 4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine

4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine (PubChem CID 170627055) has the molecular formula C17H15N5O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine
PubChem CID170627055
Molecular FormulaC17H15N5O2
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine
SMILES[2H]C([2H])([2H])Nc1ncc(-c2nc3cc(OC([2H])([2H])[2H])ccc3o2)c2cc(N)ncc12
InChIInChI=1S/C17H15N5O2/c1-19-16-11-7-20-15(18)6-10(11)12(8-21-16)17-22-13-5-9(23-2)3-4-14(13)24-17/h3-8H,1-2H3,(H2,18,20)(H,19,21)/i1D3,2D3
InChIKeyOFPFDPDHTATWFC-WFGJKAKNSA-N
XLogP3.07
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine (CID 170627055) is 4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine is [2H]C([2H])([2H])Nc1ncc(-c2nc3cc(OC([2H])([2H])[2H])ccc3o2)c2cc(N)ncc12.
What is the InChIKey of 4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine?
The InChIKey is OFPFDPDHTATWFC-WFGJKAKNSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-19-16-11-7-20-15(18)6-10(11)12(8-21-16)17-22-13-5-9(23-2)3-4-14(13)24-17/h3-8H,1-2H3,(H2,18,20)(H,19,21)/i1D3,2D3.
What are the key properties of 4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine?
4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine has a molecular weight of 327.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 170627055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).