N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide

C18H22N4O3 — CID 118742099

IUPACN-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cncc2c1CCN(CC1CCOC1)C2)c1ccno1
InChIInChI=1S/C18H22N4O3/c23-18(17-1-4-21-25-17)20-9-14-7-19-8-15-11-22(5-2-16(14)15)10-13-3-6-24-12-13/h1,4,7-8,13H,2-3,5-6,9-12H2,(H,20,23)
InChIKeyXBFGJAADNAJSFG-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.39
Rot. Bonds5

About N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide

N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 118742099) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID118742099
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cncc2c1CCN(CC1CCOC1)C2)c1ccno1
InChIInChI=1S/C18H22N4O3/c23-18(17-1-4-21-25-17)20-9-14-7-19-8-15-11-22(5-2-16(14)15)10-13-3-6-24-12-13/h1,4,7-8,13H,2-3,5-6,9-12H2,(H,20,23)
InChIKeyXBFGJAADNAJSFG-UHFFFAOYSA-N
XLogP1.39
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

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CID 97420700
CID 97420700
CID 97420701
CID 97420701
CID 97452493
CID 97452493
CID 97460510
CID 97460510
CID 110202612
CID 110202612
CID 118742098
CID 118742098
CID 118742123
CID 118742123
CID 127023203
CID 127023203
CID 127023768
CID 127023768

Frequently Asked Questions

What is the IUPAC name of N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide (CID 118742099) is N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(NCc1cncc2c1CCN(CC1CCOC1)C2)c1ccno1.
What is the InChIKey of N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is XBFGJAADNAJSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-18(17-1-4-21-25-17)20-9-14-7-19-8-15-11-22(5-2-16(14)15)10-13-3-6-24-12-13/h1,4,7-8,13H,2-3,5-6,9-12H2,(H,20,23).
What are the key properties of N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 118742099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).