3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide

C22H33N5O2 — CID 53115981

IUPAC3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide
SMILESCc1noc2nc(CCC(=O)NC3CCCCCC3)nc(N3CCCCCC3)c12
InChIInChI=1S/C22H33N5O2/c1-16-20-21(27-14-8-4-5-9-15-27)24-18(25-22(20)29-26-16)12-13-19(28)23-17-10-6-2-3-7-11-17/h17H,2-15H2,1H3,(H,23,28)
InChIKeySLUPDGBZHDNRAY-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.08
Rot. Bonds5

About 3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide

3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide (PubChem CID 53115981) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide
PubChem CID53115981
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide
SMILESCc1noc2nc(CCC(=O)NC3CCCCCC3)nc(N3CCCCCC3)c12
InChIInChI=1S/C22H33N5O2/c1-16-20-21(27-14-8-4-5-9-15-27)24-18(25-22(20)29-26-16)12-13-19(28)23-17-10-6-2-3-7-11-17/h17H,2-15H2,1H3,(H,23,28)
InChIKeySLUPDGBZHDNRAY-UHFFFAOYSA-N
XLogP4.08
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide 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 3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide?
The IUPAC name of 3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide (CID 53115981) is 3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide.
What is the SMILES notation for 3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide?
The canonical SMILES for 3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide is Cc1noc2nc(CCC(=O)NC3CCCCCC3)nc(N3CCCCCC3)c12.
What is the InChIKey of 3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide?
The InChIKey is SLUPDGBZHDNRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-16-20-21(27-14-8-4-5-9-15-27)24-18(25-22(20)29-26-16)12-13-19(28)23-17-10-6-2-3-7-11-17/h17H,2-15H2,1H3,(H,23,28).
What are the key properties of 3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide?
3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide has a molecular weight of 399.54 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(azepan-1-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-N-cycloheptylpropanamide is sourced from PubChem (CID 53115981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).