3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine

C16H26N4O — CID 74245488

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
SMILESCc1n[nH]c(C)c1CCCN(C)Cc1coc(C(C)C)n1
InChIInChI=1S/C16H26N4O/c1-11(2)16-17-14(10-21-16)9-20(5)8-6-7-15-12(3)18-19-13(15)4/h10-11H,6-9H2,1-5H3,(H,18,19)
InChIKeyNWHIJYXMVWLMDK-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.20
Rot. Bonds7

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine (PubChem CID 74245488) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
PubChem CID74245488
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
SMILESCc1n[nH]c(C)c1CCCN(C)Cc1coc(C(C)C)n1
InChIInChI=1S/C16H26N4O/c1-11(2)16-17-14(10-21-16)9-20(5)8-6-7-15-12(3)18-19-13(15)4/h10-11H,6-9H2,1-5H3,(H,18,19)
InChIKeyNWHIJYXMVWLMDK-UHFFFAOYSA-N
XLogP3.20
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine (CID 74245488) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine is Cc1n[nH]c(C)c1CCCN(C)Cc1coc(C(C)C)n1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The InChIKey is NWHIJYXMVWLMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(2)16-17-14(10-21-16)9-20(5)8-6-7-15-12(3)18-19-13(15)4/h10-11H,6-9H2,1-5H3,(H,18,19).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 74245488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).