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

C17H14N4O2 — CID 23725574

IUPACN-(1H-indazol-5-yl)-5-(4-methoxyphenyl)-1,3-oxazol-2-amine
SMILESCOc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1
InChIInChI=1S/C17H14N4O2/c1-22-14-5-2-11(3-6-14)16-10-18-17(23-16)20-13-4-7-15-12(8-13)9-19-21-15/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeyHOKRZZCWWLLBQW-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.97
Rot. Bonds4

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

N-(1H-indazol-5-yl)-5-(4-methoxyphenyl)-1,3-oxazol-2-amine (PubChem CID 23725574) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-5-(4-methoxyphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-5-(4-methoxyphenyl)-1,3-oxazol-2-amine
PubChem CID23725574
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC NameN-(1H-indazol-5-yl)-5-(4-methoxyphenyl)-1,3-oxazol-2-amine
SMILESCOc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1
InChIInChI=1S/C17H14N4O2/c1-22-14-5-2-11(3-6-14)16-10-18-17(23-16)20-13-4-7-15-12(8-13)9-19-21-15/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeyHOKRZZCWWLLBQW-UHFFFAOYSA-N
XLogP3.97
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-5-(4-methoxyphenyl)-1,3-oxazol-2-amine?
The IUPAC name of N-(1H-indazol-5-yl)-5-(4-methoxyphenyl)-1,3-oxazol-2-amine (CID 23725574) is N-(1H-indazol-5-yl)-5-(4-methoxyphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-5-(4-methoxyphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-5-(4-methoxyphenyl)-1,3-oxazol-2-amine is COc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1.
What is the InChIKey of N-(1H-indazol-5-yl)-5-(4-methoxyphenyl)-1,3-oxazol-2-amine?
The InChIKey is HOKRZZCWWLLBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-22-14-5-2-11(3-6-14)16-10-18-17(23-16)20-13-4-7-15-12(8-13)9-19-21-15/h2-10H,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(1H-indazol-5-yl)-5-(4-methoxyphenyl)-1,3-oxazol-2-amine?
N-(1H-indazol-5-yl)-5-(4-methoxyphenyl)-1,3-oxazol-2-amine has a molecular weight of 306.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-5-(4-methoxyphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 23725574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).