5-(3-chlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine

C16H11ClN4O — CID 23725522

IUPAC5-(3-chlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
SMILESClc1cccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)c1
InChIInChI=1S/C16H11ClN4O/c17-12-3-1-2-10(6-12)15-9-18-16(22-15)20-13-4-5-14-11(7-13)8-19-21-14/h1-9H,(H,18,20)(H,19,21)
InChIKeyKJKSHWUWRCHTNT-UHFFFAOYSA-N
MW310.74 g/mol
LogP4.61
Rot. Bonds3

About 5-(3-chlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine

5-(3-chlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine (PubChem CID 23725522) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
PubChem CID23725522
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name5-(3-chlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
SMILESClc1cccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)c1
InChIInChI=1S/C16H11ClN4O/c17-12-3-1-2-10(6-12)15-9-18-16(22-15)20-13-4-5-14-11(7-13)8-19-21-14/h1-9H,(H,18,20)(H,19,21)
InChIKeyKJKSHWUWRCHTNT-UHFFFAOYSA-N
XLogP4.61
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine (CID 23725522) is 5-(3-chlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine is Clc1cccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The InChIKey is KJKSHWUWRCHTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c17-12-3-1-2-10(6-12)15-9-18-16(22-15)20-13-4-5-14-11(7-13)8-19-21-14/h1-9H,(H,18,20)(H,19,21).
What are the key properties of 5-(3-chlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
5-(3-chlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine has a molecular weight of 310.74 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 23725522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).