3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole

C18H25N3O2 — CID 169196786

IUPAC3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
SMILESCCCc1ccc(OC)c(-c2cc(CN3CCNCC3)on2)c1
InChIInChI=1S/C18H25N3O2/c1-3-4-14-5-6-18(22-2)16(11-14)17-12-15(23-20-17)13-21-9-7-19-8-10-21/h5-6,11-12,19H,3-4,7-10,13H2,1-2H3
InChIKeyALNRLNIUCBEMDH-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.71
Rot. Bonds6

About 3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole

3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole (PubChem CID 169196786) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
PubChem CID169196786
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
SMILESCCCc1ccc(OC)c(-c2cc(CN3CCNCC3)on2)c1
InChIInChI=1S/C18H25N3O2/c1-3-4-14-5-6-18(22-2)16(11-14)17-12-15(23-20-17)13-21-9-7-19-8-10-21/h5-6,11-12,19H,3-4,7-10,13H2,1-2H3
InChIKeyALNRLNIUCBEMDH-UHFFFAOYSA-N
XLogP2.71
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole (CID 169196786) is 3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole is CCCc1ccc(OC)c(-c2cc(CN3CCNCC3)on2)c1.
What is the InChIKey of 3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole?
The InChIKey is ALNRLNIUCBEMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-4-14-5-6-18(22-2)16(11-14)17-12-15(23-20-17)13-21-9-7-19-8-10-21/h5-6,11-12,19H,3-4,7-10,13H2,1-2H3.
What are the key properties of 3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole?
3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole has a molecular weight of 315.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-propylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 169196786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).