3-phenyl-4-[3-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid

C23H25N3O4 — CID 91607357

IUPAC3-phenyl-4-[3-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid
SMILESO=C(O)CC(Cc1cc(OCCc2ccc3c(n2)CCCN3)no1)c1ccccc1
InChIInChI=1S/C23H25N3O4/c27-23(28)14-17(16-5-2-1-3-6-16)13-19-15-22(26-30-19)29-12-10-18-8-9-20-21(25-18)7-4-11-24-20/h1-3,5-6,8-9,15,17,24H,4,7,10-14H2,(H,27,28)
InChIKeyRXPFREMNJMJORO-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.85
Rot. Bonds9

About 3-phenyl-4-[3-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid

3-phenyl-4-[3-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid (PubChem CID 91607357) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-phenyl-4-[3-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid.

Molecular Properties

Compound Name3-phenyl-4-[3-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid
PubChem CID91607357
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3-phenyl-4-[3-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid
SMILESO=C(O)CC(Cc1cc(OCCc2ccc3c(n2)CCCN3)no1)c1ccccc1
InChIInChI=1S/C23H25N3O4/c27-23(28)14-17(16-5-2-1-3-6-16)13-19-15-22(26-30-19)29-12-10-18-8-9-20-21(25-18)7-4-11-24-20/h1-3,5-6,8-9,15,17,24H,4,7,10-14H2,(H,27,28)
InChIKeyRXPFREMNJMJORO-UHFFFAOYSA-N
XLogP3.85
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-pyridin-3-yl-3-[6-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1-benzofuran-3-yl]propanoic acid
CID 90855829
3-(1,3-benzodioxol-5-yl)-4-[3-[2-(1,2,3,5-tetrahydro-4,1-benzoxazepin-8-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid
CID 59988712
3-naphthalen-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid
CID 90743454
3-(5-phenyl-3-pyridinyl)-3-[6-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1-benzothiophen-3-yl]propanoic acid
CID 91584403
3-(1,3-benzodioxol-5-yl)-4-[3-[2-[5-(methoxymethyl)-6-(methylamino)-2-pyridinyl]ethoxy]-1,2-oxazol-5-yl]butanoic acid
CID 10393477
6-(2-phenylpropyl)-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 91313301
3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid
CID 90744243
3-(2,3-dihydro-1-benzofuran-6-yl)-3-[6-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1-benzofuran-3-yl]propanoic acid
CID 91447964
(3S)-3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
CID 175555055
3-(4-cyanophenyl)-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid
CID 91502625
3-(3-tert-butylphenyl)-4-[1-methyl-5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]pyrazol-3-yl]butanoic acid
CID 147011655
2-[2-[4-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
CID 90807928

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-[3-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid?
The IUPAC name of 3-phenyl-4-[3-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid (CID 91607357) is 3-phenyl-4-[3-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid.
What is the SMILES notation for 3-phenyl-4-[3-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid?
The canonical SMILES for 3-phenyl-4-[3-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid is O=C(O)CC(Cc1cc(OCCc2ccc3c(n2)CCCN3)no1)c1ccccc1.
What is the InChIKey of 3-phenyl-4-[3-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid?
The InChIKey is RXPFREMNJMJORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-23(28)14-17(16-5-2-1-3-6-16)13-19-15-22(26-30-19)29-12-10-18-8-9-20-21(25-18)7-4-11-24-20/h1-3,5-6,8-9,15,17,24H,4,7,10-14H2,(H,27,28).
What are the key properties of 3-phenyl-4-[3-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid?
3-phenyl-4-[3-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid has a molecular weight of 407.47 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-[3-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid is sourced from PubChem (CID 91607357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).