N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine

C16H20N4O — CID 133331856

IUPACN-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine
SMILESCCC(Nc1nc2ccccc2o1)c1c(C)nn(C)c1C
InChIInChI=1S/C16H20N4O/c1-5-12(15-10(2)19-20(4)11(15)3)17-16-18-13-8-6-7-9-14(13)21-16/h6-9,12H,5H2,1-4H3,(H,17,18)
InChIKeyMUZUSZLWGZCNMM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.74
Rot. Bonds4

About N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine

N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine (PubChem CID 133331856) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine
PubChem CID133331856
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine
SMILESCCC(Nc1nc2ccccc2o1)c1c(C)nn(C)c1C
InChIInChI=1S/C16H20N4O/c1-5-12(15-10(2)19-20(4)11(15)3)17-16-18-13-8-6-7-9-14(13)21-16/h6-9,12H,5H2,1-4H3,(H,17,18)
InChIKeyMUZUSZLWGZCNMM-UHFFFAOYSA-N
XLogP3.74
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine
CID 61397667
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine
CID 95278887
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1,3-benzoxazol-2-amine
CID 86782863
3-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 133427128
[2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105325079
N-(2,5-dimethylpyrrol-1-yl)-1,3-benzoxazol-2-amine
CID 79106270
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-benzhydryl-1,3-benzoxazol-2-amine
CID 24632077
N-but-1-ynyl-1,3-benzoxazol-2-amine
CID 18995591
1-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 133331840
6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine
CID 99612743
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7696701

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine (CID 133331856) is N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine is CCC(Nc1nc2ccccc2o1)c1c(C)nn(C)c1C.
What is the InChIKey of N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine?
The InChIKey is MUZUSZLWGZCNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-5-12(15-10(2)19-20(4)11(15)3)17-16-18-13-8-6-7-9-14(13)21-16/h6-9,12H,5H2,1-4H3,(H,17,18).
What are the key properties of N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine?
N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine has a molecular weight of 284.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 133331856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).