N-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2-oxazole-3-carboxamide

C15H17ClN2O4 — CID 5307721

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)no1
InChIInChI=1S/C15H17ClN2O4/c1-4-5-9-6-12(18-22-9)15(19)17-11-8-13(20-2)10(16)7-14(11)21-3/h6-8H,4-5H2,1-3H3,(H,17,19)
InChIKeySTAKNTBCLFFFTI-UHFFFAOYSA-N
MW324.76 g/mol
LogP3.55
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2-oxazole-3-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 5307721) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID5307721
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)no1
InChIInChI=1S/C15H17ClN2O4/c1-4-5-9-6-12(18-22-9)15(19)17-11-8-13(20-2)10(16)7-14(11)21-3/h6-8H,4-5H2,1-3H3,(H,17,19)
InChIKeySTAKNTBCLFFFTI-UHFFFAOYSA-N
XLogP3.55
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2-oxazole-3-carboxamide (CID 5307721) is N-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)no1.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is STAKNTBCLFFFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c1-4-5-9-6-12(18-22-9)15(19)17-11-8-13(20-2)10(16)7-14(11)21-3/h6-8H,4-5H2,1-3H3,(H,17,19).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 324.76 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5307721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).