5-(4-chloro-3-methoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine

C17H13ClN4O2 — CID 71613089

IUPAC5-(4-chloro-3-methoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
SMILESCOc1cc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)ccc1Cl
InChIInChI=1S/C17H13ClN4O2/c1-23-15-7-10(2-4-13(15)18)16-9-19-17(24-16)21-12-3-5-14-11(6-12)8-20-22-14/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyFYIOZDBJIWAMOJ-UHFFFAOYSA-N
MW340.77 g/mol
LogP4.62
Rot. Bonds4

About 5-(4-chloro-3-methoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine

5-(4-chloro-3-methoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine (PubChem CID 71613089) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 5-(4-chloro-3-methoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(4-chloro-3-methoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
PubChem CID71613089
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name5-(4-chloro-3-methoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
SMILESCOc1cc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)ccc1Cl
InChIInChI=1S/C17H13ClN4O2/c1-23-15-7-10(2-4-13(15)18)16-9-19-17(24-16)21-12-3-5-14-11(6-12)8-20-22-14/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyFYIOZDBJIWAMOJ-UHFFFAOYSA-N
XLogP4.62
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-(1H-indazol-5-yl)oxazol-2-amine
CID 23725570
5-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)oxazol-2-amine
CID 23725945
5-(2-chlorophenyl)-N-(1H-indazol-5-yl)oxazol-2-amine
CID 23725521
5-(1,3-benzodioxol-5-yl)-N-(1H-indazol-5-yl)oxazol-2-amine
CID 23725898
N-(1H-indazol-5-yl)-5-phenyl-oxazol-2-amine
CID 49768383
N-(1H-indazol-5-yl)-5-(3-methoxyphenyl)oxazol-2-amine
CID 49768438
4-[[5-[[5-(4-Chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methoxy]-4-oxobutanoic acid
CID 71613091
2-[[5-[[5-(4-Chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methoxycarbonyl]benzoic acid
CID 71613305
5-(3-chlorophenyl)-N-(1H-indazol-5-yl)oxazol-2-amine
CID 23725522
5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)oxazol-2-amine
CID 23725571
N-(1H-indazol-5-yl)-5-(4-methoxyphenyl)oxazol-2-amine
CID 23725574
N-(1H-indazol-5-yl)-5-(2-methoxyphenyl)oxazol-2-amine
CID 23725678

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-methoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(4-chloro-3-methoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine (CID 71613089) is 5-(4-chloro-3-methoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(4-chloro-3-methoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(4-chloro-3-methoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine is COc1cc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)ccc1Cl.
What is the InChIKey of 5-(4-chloro-3-methoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The InChIKey is FYIOZDBJIWAMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c1-23-15-7-10(2-4-13(15)18)16-9-19-17(24-16)21-12-3-5-14-11(6-12)8-20-22-14/h2-9H,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-(4-chloro-3-methoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
5-(4-chloro-3-methoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine has a molecular weight of 340.77 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-methoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 71613089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).