5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole

C19H29N7O2 — CID 133344656

IUPAC5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCOc1nc(N2CCCCCC2)nc(N2CCN(Cc3cc(C)no3)CC2)n1
InChIInChI=1S/C19H29N7O2/c1-15-13-16(28-23-15)14-24-9-11-26(12-10-24)18-20-17(21-19(22-18)27-2)25-7-5-3-4-6-8-25/h13H,3-12,14H2,1-2H3
InChIKeySFTGDZWFKPHNQW-UHFFFAOYSA-N
MW387.49 g/mol
LogP1.88
Rot. Bonds5

About 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole

5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 133344656) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID133344656
Molecular FormulaC19H29N7O2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC Name5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCOc1nc(N2CCCCCC2)nc(N2CCN(Cc3cc(C)no3)CC2)n1
InChIInChI=1S/C19H29N7O2/c1-15-13-16(28-23-15)14-24-9-11-26(12-10-24)18-20-17(21-19(22-18)27-2)25-7-5-3-4-6-8-25/h13H,3-12,14H2,1-2H3
InChIKeySFTGDZWFKPHNQW-UHFFFAOYSA-N
XLogP1.88
TPSA83.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole (CID 133344656) is 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole is COc1nc(N2CCCCCC2)nc(N2CCN(Cc3cc(C)no3)CC2)n1.
What is the InChIKey of 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is SFTGDZWFKPHNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O2/c1-15-13-16(28-23-15)14-24-9-11-26(12-10-24)18-20-17(21-19(22-18)27-2)25-7-5-3-4-6-8-25/h13H,3-12,14H2,1-2H3.
What are the key properties of 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 387.49 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 133344656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).