[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone

C21H19ClN2O3 — CID 108765778

IUPAC[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCc3c(noc3-c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H19ClN2O3/c1-2-26-17-9-5-15(6-10-17)21(25)24-12-11-18-19(13-24)23-27-20(18)14-3-7-16(22)8-4-14/h3-10H,2,11-13H2,1H3
InChIKeyADNPESYULNSFGR-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.59
Rot. Bonds4

About [3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone

[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone (PubChem CID 108765778) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone
PubChem CID108765778
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCc3c(noc3-c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C21H19ClN2O3/c1-2-26-17-9-5-15(6-10-17)21(25)24-12-11-18-19(13-24)23-27-20(18)14-3-7-16(22)8-4-14/h3-10H,2,11-13H2,1H3
InChIKeyADNPESYULNSFGR-UHFFFAOYSA-N
XLogP4.59
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone (CID 108765778) is [3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCc3c(noc3-c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is ADNPESYULNSFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-2-26-17-9-5-15(6-10-17)21(25)24-12-11-18-19(13-24)23-27-20(18)14-3-7-16(22)8-4-14/h3-10H,2,11-13H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone?
[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 382.85 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 108765778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).