3-(4-hydroxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid

C23H25N3O4 — CID 134510748

IUPAC3-(4-hydroxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid
SMILESO=C(O)CC(c1ccc(O)cc1)c1nc(CCCc2ccc3c(n2)NCCC3)co1
InChIInChI=1S/C23H25N3O4/c27-19-10-7-15(8-11-19)20(13-21(28)29)23-26-18(14-30-23)5-1-4-17-9-6-16-3-2-12-24-22(16)25-17/h6-11,14,20,27H,1-5,12-13H2,(H,24,25)(H,28,29)
InChIKeyZYIAVUFANWOAKF-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.92
Rot. Bonds8

About 3-(4-hydroxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid

3-(4-hydroxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid (PubChem CID 134510748) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid
PubChem CID134510748
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3-(4-hydroxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid
SMILESO=C(O)CC(c1ccc(O)cc1)c1nc(CCCc2ccc3c(n2)NCCC3)co1
InChIInChI=1S/C23H25N3O4/c27-19-10-7-15(8-11-19)20(13-21(28)29)23-26-18(14-30-23)5-1-4-17-9-6-16-3-2-12-24-22(16)25-17/h6-11,14,20,27H,1-5,12-13H2,(H,24,25)(H,28,29)
InChIKeyZYIAVUFANWOAKF-UHFFFAOYSA-N
XLogP3.92
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 90338346
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
4-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid
CID 10279630
3-(6-oxo-1H-pyridin-3-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 10207030
3-(4-methoxyphenyl)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid
CID 118721325
3-phenyl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid
CID 75002097
3-(furan-3-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid
CID 59988875
3-(4-phenylphenyl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid
CID 10481750
3-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazol-1-yl]butanoic acid
CID 10222901
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252
(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1H-pyrazol-3-yl]propanoic acid
CID 134501412
3-(1,3-benzodioxol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1H-pyrazol-5-yl]butanoic acid
CID 10160963

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid (CID 134510748) is 3-(4-hydroxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid is O=C(O)CC(c1ccc(O)cc1)c1nc(CCCc2ccc3c(n2)NCCC3)co1.
What is the InChIKey of 3-(4-hydroxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid?
The InChIKey is ZYIAVUFANWOAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-19-10-7-15(8-11-19)20(13-21(28)29)23-26-18(14-30-23)5-1-4-17-9-6-16-3-2-12-24-22(16)25-17/h6-11,14,20,27H,1-5,12-13H2,(H,24,25)(H,28,29).
What are the key properties of 3-(4-hydroxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid?
3-(4-hydroxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid has a molecular weight of 407.47 g/mol, XLogP of 3.92, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-oxazol-2-yl]propanoic acid is sourced from PubChem (CID 134510748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).