5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline

C17H19ClN4O2 — CID 126791418

IUPAC5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NCc1cc(-c2cnn(C)c2)no1
InChIInChI=1S/C17H19ClN4O2/c1-3-6-23-17-5-4-13(18)7-16(17)19-10-14-8-15(21-24-14)12-9-20-22(2)11-12/h4-5,7-9,11,19H,3,6,10H2,1-2H3
InChIKeyMWODDJLJCJXEQC-UHFFFAOYSA-N
MW346.82 g/mol
LogP4.13
Rot. Bonds7

About 5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline

5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline (PubChem CID 126791418) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline
PubChem CID126791418
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NCc1cc(-c2cnn(C)c2)no1
InChIInChI=1S/C17H19ClN4O2/c1-3-6-23-17-5-4-13(18)7-16(17)19-10-14-8-15(21-24-14)12-9-20-22(2)11-12/h4-5,7-9,11,19H,3,6,10H2,1-2H3
InChIKeyMWODDJLJCJXEQC-UHFFFAOYSA-N
XLogP4.13
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline?
The IUPAC name of 5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline (CID 126791418) is 5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline.
What is the SMILES notation for 5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline?
The canonical SMILES for 5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline is CCCOc1ccc(Cl)cc1NCc1cc(-c2cnn(C)c2)no1.
What is the InChIKey of 5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline?
The InChIKey is MWODDJLJCJXEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-3-6-23-17-5-4-13(18)7-16(17)19-10-14-8-15(21-24-14)12-9-20-22(2)11-12/h4-5,7-9,11,19H,3,6,10H2,1-2H3.
What are the key properties of 5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline?
5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline has a molecular weight of 346.82 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-2-propoxyaniline is sourced from PubChem (CID 126791418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).