[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

C24H27N5O3 — CID 170503699

IUPAC[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cccnc1N1CCN(CCO)CC1)N1CCc2oc(-c3ccccc3)nc2C1
InChIInChI=1S/C24H27N5O3/c30-16-15-27-11-13-28(14-12-27)22-19(7-4-9-25-22)24(31)29-10-8-21-20(17-29)26-23(32-21)18-5-2-1-3-6-18/h1-7,9,30H,8,10-17H2
InChIKeySVSYXDSTOXZEJL-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.05
Rot. Bonds5

About [2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 170503699) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is [2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID170503699
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cccnc1N1CCN(CCO)CC1)N1CCc2oc(-c3ccccc3)nc2C1
InChIInChI=1S/C24H27N5O3/c30-16-15-27-11-13-28(14-12-27)22-19(7-4-9-25-22)24(31)29-10-8-21-20(17-29)26-23(32-21)18-5-2-1-3-6-18/h1-7,9,30H,8,10-17H2
InChIKeySVSYXDSTOXZEJL-UHFFFAOYSA-N
XLogP2.05
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 170503699) is [2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is O=C(c1cccnc1N1CCN(CCO)CC1)N1CCc2oc(-c3ccccc3)nc2C1.
What is the InChIKey of [2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is SVSYXDSTOXZEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c30-16-15-27-11-13-28(14-12-27)22-19(7-4-9-25-22)24(31)29-10-8-21-20(17-29)26-23(32-21)18-5-2-1-3-6-18/h1-7,9,30H,8,10-17H2.
What are the key properties of [2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 433.51 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 170503699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).