1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid

C20H26N2O4 — CID 168974961

IUPAC1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid
SMILESCCCCc1nc(-c2ccc(OC)cc2)c(N2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C20H26N2O4/c1-3-4-5-17-21-18(14-6-8-16(25-2)9-7-14)19(26-17)22-12-10-15(11-13-22)20(23)24/h6-9,15H,3-5,10-13H2,1-2H3,(H,23,24)
InChIKeyGIBCQKXSLNAAMM-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.99
Rot. Bonds7

About 1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid

1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid (PubChem CID 168974961) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid
PubChem CID168974961
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid
SMILESCCCCc1nc(-c2ccc(OC)cc2)c(N2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C20H26N2O4/c1-3-4-5-17-21-18(14-6-8-16(25-2)9-7-14)19(26-17)22-12-10-15(11-13-22)20(23)24/h6-9,15H,3-5,10-13H2,1-2H3,(H,23,24)
InChIKeyGIBCQKXSLNAAMM-UHFFFAOYSA-N
XLogP3.99
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid (CID 168974961) is 1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid is CCCCc1nc(-c2ccc(OC)cc2)c(N2CCC(C(=O)O)CC2)o1.
What is the InChIKey of 1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid?
The InChIKey is GIBCQKXSLNAAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-4-5-17-21-18(14-6-8-16(25-2)9-7-14)19(26-17)22-12-10-15(11-13-22)20(23)24/h6-9,15H,3-5,10-13H2,1-2H3,(H,23,24).
What are the key properties of 1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid?
1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid has a molecular weight of 358.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-butyl-4-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 168974961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).