N,N-dimethyl-2-[6-(1,3-oxazol-4-yl)indazol-1-yl]ethanamine

C14H16N4O — CID 170972610

IUPACN,N-dimethyl-2-[6-(1,3-oxazol-4-yl)indazol-1-yl]ethanamine
SMILESCN(C)CCn1ncc2ccc(-c3cocn3)cc21
InChIInChI=1S/C14H16N4O/c1-17(2)5-6-18-14-7-11(13-9-19-10-15-13)3-4-12(14)8-16-18/h3-4,7-10H,5-6H2,1-2H3
InChIKeyYLSWZNMICWIQRY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.25
Rot. Bonds4

About N,N-dimethyl-2-[6-(1,3-oxazol-4-yl)indazol-1-yl]ethanamine

N,N-dimethyl-2-[6-(1,3-oxazol-4-yl)indazol-1-yl]ethanamine (PubChem CID 170972610) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-(1,3-oxazol-4-yl)indazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[6-(1,3-oxazol-4-yl)indazol-1-yl]ethanamine
PubChem CID170972610
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN,N-dimethyl-2-[6-(1,3-oxazol-4-yl)indazol-1-yl]ethanamine
SMILESCN(C)CCn1ncc2ccc(-c3cocn3)cc21
InChIInChI=1S/C14H16N4O/c1-17(2)5-6-18-14-7-11(13-9-19-10-15-13)3-4-12(14)8-16-18/h3-4,7-10H,5-6H2,1-2H3
InChIKeyYLSWZNMICWIQRY-UHFFFAOYSA-N
XLogP2.25
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-(1,3-oxazol-4-yl)indazol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[6-(1,3-oxazol-4-yl)indazol-1-yl]ethanamine (CID 170972610) is N,N-dimethyl-2-[6-(1,3-oxazol-4-yl)indazol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[6-(1,3-oxazol-4-yl)indazol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[6-(1,3-oxazol-4-yl)indazol-1-yl]ethanamine is CN(C)CCn1ncc2ccc(-c3cocn3)cc21.
What is the InChIKey of N,N-dimethyl-2-[6-(1,3-oxazol-4-yl)indazol-1-yl]ethanamine?
The InChIKey is YLSWZNMICWIQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-17(2)5-6-18-14-7-11(13-9-19-10-15-13)3-4-12(14)8-16-18/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[6-(1,3-oxazol-4-yl)indazol-1-yl]ethanamine?
N,N-dimethyl-2-[6-(1,3-oxazol-4-yl)indazol-1-yl]ethanamine has a molecular weight of 256.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[6-(1,3-oxazol-4-yl)indazol-1-yl]ethanamine is sourced from PubChem (CID 170972610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).