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

C18H16N4O3 — CID 23725945

IUPAC5-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
SMILESCOc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1OC
InChIInChI=1S/C18H16N4O3/c1-23-15-6-3-11(8-16(15)24-2)17-10-19-18(25-17)21-13-4-5-14-12(7-13)9-20-22-14/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyFUHKZRRZPRTHFP-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.98
Rot. Bonds5

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

5-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine (PubChem CID 23725945) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
PubChem CID23725945
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
SMILESCOc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1OC
InChIInChI=1S/C18H16N4O3/c1-23-15-6-3-11(8-16(15)24-2)17-10-19-18(25-17)21-13-4-5-14-12(7-13)9-20-22-14/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyFUHKZRRZPRTHFP-UHFFFAOYSA-N
XLogP3.98
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine (CID 23725945) is 5-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine is COc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The InChIKey is FUHKZRRZPRTHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-23-15-6-3-11(8-16(15)24-2)17-10-19-18(25-17)21-13-4-5-14-12(7-13)9-20-22-14/h3-10H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
5-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine has a molecular weight of 336.35 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 23725945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).