5-[4-(diethylamino)phenyl]-N-(1H-indazol-6-yl)-1,3-oxazol-2-amine

C20H21N5O — CID 23725728

IUPAC5-[4-(diethylamino)phenyl]-N-(1H-indazol-6-yl)-1,3-oxazol-2-amine
SMILESCCN(CC)c1ccc(-c2cnc(Nc3ccc4cn[nH]c4c3)o2)cc1
InChIInChI=1S/C20H21N5O/c1-3-25(4-2)17-9-6-14(7-10-17)19-13-21-20(26-19)23-16-8-5-15-12-22-24-18(15)11-16/h5-13H,3-4H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIQIWHGAVMWHFMI-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.81
Rot. Bonds6

About 5-[4-(diethylamino)phenyl]-N-(1H-indazol-6-yl)-1,3-oxazol-2-amine

5-[4-(diethylamino)phenyl]-N-(1H-indazol-6-yl)-1,3-oxazol-2-amine (PubChem CID 23725728) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-[4-(diethylamino)phenyl]-N-(1H-indazol-6-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[4-(diethylamino)phenyl]-N-(1H-indazol-6-yl)-1,3-oxazol-2-amine
PubChem CID23725728
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name5-[4-(diethylamino)phenyl]-N-(1H-indazol-6-yl)-1,3-oxazol-2-amine
SMILESCCN(CC)c1ccc(-c2cnc(Nc3ccc4cn[nH]c4c3)o2)cc1
InChIInChI=1S/C20H21N5O/c1-3-25(4-2)17-9-6-14(7-10-17)19-13-21-20(26-19)23-16-8-5-15-12-22-24-18(15)11-16/h5-13H,3-4H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIQIWHGAVMWHFMI-UHFFFAOYSA-N
XLogP4.81
TPSA69.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)phenyl]-N-(1H-indazol-6-yl)-1,3-oxazol-2-amine?
The IUPAC name of 5-[4-(diethylamino)phenyl]-N-(1H-indazol-6-yl)-1,3-oxazol-2-amine (CID 23725728) is 5-[4-(diethylamino)phenyl]-N-(1H-indazol-6-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[4-(diethylamino)phenyl]-N-(1H-indazol-6-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-[4-(diethylamino)phenyl]-N-(1H-indazol-6-yl)-1,3-oxazol-2-amine is CCN(CC)c1ccc(-c2cnc(Nc3ccc4cn[nH]c4c3)o2)cc1.
What is the InChIKey of 5-[4-(diethylamino)phenyl]-N-(1H-indazol-6-yl)-1,3-oxazol-2-amine?
The InChIKey is IQIWHGAVMWHFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-3-25(4-2)17-9-6-14(7-10-17)19-13-21-20(26-19)23-16-8-5-15-12-22-24-18(15)11-16/h5-13H,3-4H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 5-[4-(diethylamino)phenyl]-N-(1H-indazol-6-yl)-1,3-oxazol-2-amine?
5-[4-(diethylamino)phenyl]-N-(1H-indazol-6-yl)-1,3-oxazol-2-amine has a molecular weight of 347.42 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylamino)phenyl]-N-(1H-indazol-6-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 23725728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).