3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid

C23H27N5O3S — CID 11546965

IUPAC3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid
SMILESO=C(O)CC(Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cnc(C2CC2)s1
InChIInChI=1S/C23H27N5O3S/c29-21(30)12-16(18-13-25-23(32-18)15-6-7-15)11-20-27-19(28-31-20)5-1-4-17-9-8-14-3-2-10-24-22(14)26-17/h8-9,13,15-16H,1-7,10-12H2,(H,24,26)(H,29,30)
InChIKeyYTKGKCKBCJZBIX-UHFFFAOYSA-N
MW453.57 g/mol
LogP4.13
Rot. Bonds10

About 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid

3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid (PubChem CID 11546965) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid.

Molecular Properties

Compound Name3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid
PubChem CID11546965
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Name3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid
SMILESO=C(O)CC(Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cnc(C2CC2)s1
InChIInChI=1S/C23H27N5O3S/c29-21(30)12-16(18-13-25-23(32-18)15-6-7-15)11-20-27-19(28-31-20)5-1-4-17-9-8-14-3-2-10-24-22(14)26-17/h8-9,13,15-16H,1-7,10-12H2,(H,24,26)(H,29,30)
InChIKeyYTKGKCKBCJZBIX-UHFFFAOYSA-N
XLogP4.13
TPSA114.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid?
The IUPAC name of 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid (CID 11546965) is 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid.
What is the SMILES notation for 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid?
The canonical SMILES for 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid is O=C(O)CC(Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cnc(C2CC2)s1.
What is the InChIKey of 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid?
The InChIKey is YTKGKCKBCJZBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c29-21(30)12-16(18-13-25-23(32-18)15-6-7-15)11-20-27-19(28-31-20)5-1-4-17-9-8-14-3-2-10-24-22(14)26-17/h8-9,13,15-16H,1-7,10-12H2,(H,24,26)(H,29,30).
What are the key properties of 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid?
3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid has a molecular weight of 453.57 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid is sourced from PubChem (CID 11546965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).