[(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea

C16H21N7O2 — CID 95763187

IUPAC[(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea
SMILESCCCC[C@H](NC(N)=O)c1nc(-c2cnn3c(C)cc(C)nc23)no1
InChIInChI=1S/C16H21N7O2/c1-4-5-6-12(20-16(17)24)15-21-13(22-25-15)11-8-18-23-10(3)7-9(2)19-14(11)23/h7-8,12H,4-6H2,1-3H3,(H3,17,20,24)/t12-/m0/s1
InChIKeyGAHOYJIGVSDZOY-LBPRGKRZSA-N
MW343.39 g/mol
LogP2.30
Rot. Bonds6

About [(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea

[(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea (PubChem CID 95763187) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is [(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea.

Molecular Properties

Compound Name[(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea
PubChem CID95763187
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name[(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea
SMILESCCCC[C@H](NC(N)=O)c1nc(-c2cnn3c(C)cc(C)nc23)no1
InChIInChI=1S/C16H21N7O2/c1-4-5-6-12(20-16(17)24)15-21-13(22-25-15)11-8-18-23-10(3)7-9(2)19-14(11)23/h7-8,12H,4-6H2,1-3H3,(H3,17,20,24)/t12-/m0/s1
InChIKeyGAHOYJIGVSDZOY-LBPRGKRZSA-N
XLogP2.30
TPSA124.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea 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 [(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea?
The IUPAC name of [(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea (CID 95763187) is [(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea.
What is the SMILES notation for [(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea?
The canonical SMILES for [(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea is CCCC[C@H](NC(N)=O)c1nc(-c2cnn3c(C)cc(C)nc23)no1.
What is the InChIKey of [(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea?
The InChIKey is GAHOYJIGVSDZOY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-4-5-6-12(20-16(17)24)15-21-13(22-25-15)11-8-18-23-10(3)7-9(2)19-14(11)23/h7-8,12H,4-6H2,1-3H3,(H3,17,20,24)/t12-/m0/s1.
What are the key properties of [(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea?
[(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea has a molecular weight of 343.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazol-5-yl]pentyl]urea is sourced from PubChem (CID 95763187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).