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

C24H25N3O4 — CID 10112789

IUPAC2-[1-(1,2-oxazol-5-yl)-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccno2)CC1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1
InChIInChI=1S/C24H25N3O4/c28-22(29)15-24(21-9-12-26-31-21)14-20(24)16-4-7-19(8-5-16)30-13-10-18-6-3-17-2-1-11-25-23(17)27-18/h3-9,12,20H,1-2,10-11,13-15H2,(H,25,27)(H,28,29)
InChIKeyNQORFCYJQWILSA-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.95
Rot. Bonds8

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

2-[1-(1,2-oxazol-5-yl)-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid (PubChem CID 10112789) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[1-(1,2-oxazol-5-yl)-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,2-oxazol-5-yl)-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
PubChem CID10112789
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-[1-(1,2-oxazol-5-yl)-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccno2)CC1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1
InChIInChI=1S/C24H25N3O4/c28-22(29)15-24(21-9-12-26-31-21)14-20(24)16-4-7-19(8-5-16)30-13-10-18-6-3-17-2-1-11-25-23(17)27-18/h3-9,12,20H,1-2,10-11,13-15H2,(H,25,27)(H,28,29)
InChIKeyNQORFCYJQWILSA-UHFFFAOYSA-N
XLogP3.95
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-oxazol-5-yl)-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(1,2-oxazol-5-yl)-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid (CID 10112789) is 2-[1-(1,2-oxazol-5-yl)-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(1,2-oxazol-5-yl)-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(1,2-oxazol-5-yl)-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid is O=C(O)CC1(c2ccno2)CC1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1.
What is the InChIKey of 2-[1-(1,2-oxazol-5-yl)-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
The InChIKey is NQORFCYJQWILSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-22(29)15-24(21-9-12-26-31-21)14-20(24)16-4-7-19(8-5-16)30-13-10-18-6-3-17-2-1-11-25-23(17)27-18/h3-9,12,20H,1-2,10-11,13-15H2,(H,25,27)(H,28,29).
What are the key properties of 2-[1-(1,2-oxazol-5-yl)-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
2-[1-(1,2-oxazol-5-yl)-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid has a molecular weight of 419.48 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-oxazol-5-yl)-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 10112789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).