(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone

C20H22N4O2 — CID 92588223

IUPAC(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone
SMILESCCc1onc(C)c1C(=O)N1CCC(c2cc3ncccc3cn2)CC1
InChIInChI=1S/C20H22N4O2/c1-3-18-19(13(2)23-26-18)20(25)24-9-6-14(7-10-24)16-11-17-15(12-22-16)5-4-8-21-17/h4-5,8,11-12,14H,3,6-7,9-10H2,1-2H3
InChIKeyQSUSPPRPKCSFSI-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.51
Rot. Bonds3

About (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone

(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone (PubChem CID 92588223) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone
PubChem CID92588223
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone
SMILESCCc1onc(C)c1C(=O)N1CCC(c2cc3ncccc3cn2)CC1
InChIInChI=1S/C20H22N4O2/c1-3-18-19(13(2)23-26-18)20(25)24-9-6-14(7-10-24)16-11-17-15(12-22-16)5-4-8-21-17/h4-5,8,11-12,14H,3,6-7,9-10H2,1-2H3
InChIKeyQSUSPPRPKCSFSI-UHFFFAOYSA-N
XLogP3.51
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone (CID 92588223) is (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone is CCc1onc(C)c1C(=O)N1CCC(c2cc3ncccc3cn2)CC1.
What is the InChIKey of (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone?
The InChIKey is QSUSPPRPKCSFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-18-19(13(2)23-26-18)20(25)24-9-6-14(7-10-24)16-11-17-15(12-22-16)5-4-8-21-17/h4-5,8,11-12,14H,3,6-7,9-10H2,1-2H3.
What are the key properties of (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone?
(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92588223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).