3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole

C17H18ClN3O3 — CID 171644735

IUPAC3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole
SMILESCc1cc(OCc2cc3c(cnn3C3CCCCO3)cc2Cl)no1
InChIInChI=1S/C17H18ClN3O3/c1-11-6-16(20-24-11)23-10-13-8-15-12(7-14(13)18)9-19-21(15)17-4-2-3-5-22-17/h6-9,17H,2-5,10H2,1H3
InChIKeyQRGSUECCGTUQPN-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.26
Rot. Bonds4

About 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole

3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole (PubChem CID 171644735) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole
PubChem CID171644735
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole
SMILESCc1cc(OCc2cc3c(cnn3C3CCCCO3)cc2Cl)no1
InChIInChI=1S/C17H18ClN3O3/c1-11-6-16(20-24-11)23-10-13-8-15-12(7-14(13)18)9-19-21(15)17-4-2-3-5-22-17/h6-9,17H,2-5,10H2,1H3
InChIKeyQRGSUECCGTUQPN-UHFFFAOYSA-N
XLogP4.26
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole (CID 171644735) is 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole is Cc1cc(OCc2cc3c(cnn3C3CCCCO3)cc2Cl)no1.
What is the InChIKey of 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole?
The InChIKey is QRGSUECCGTUQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-11-6-16(20-24-11)23-10-13-8-15-12(7-14(13)18)9-19-21(15)17-4-2-3-5-22-17/h6-9,17H,2-5,10H2,1H3.
What are the key properties of 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole?
3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole has a molecular weight of 347.80 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]methoxy]-5-methyl-1,2-oxazole is sourced from PubChem (CID 171644735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).