3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide

C17H17ClN4O2 — CID 21088632

IUPAC3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide
SMILESCc1ncn(-c2nc(-c3ccc(Cl)cc3)c(CCC(N)=O)o2)c1C
InChIInChI=1S/C17H17ClN4O2/c1-10-11(2)22(9-20-10)17-21-16(12-3-5-13(18)6-4-12)14(24-17)7-8-15(19)23/h3-6,9H,7-8H2,1-2H3,(H2,19,23)
InChIKeyDQYXSJULLYQHIX-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.22
Rot. Bonds5

About 3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide

3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide (PubChem CID 21088632) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide
PubChem CID21088632
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide
SMILESCc1ncn(-c2nc(-c3ccc(Cl)cc3)c(CCC(N)=O)o2)c1C
InChIInChI=1S/C17H17ClN4O2/c1-10-11(2)22(9-20-10)17-21-16(12-3-5-13(18)6-4-12)14(24-17)7-8-15(19)23/h3-6,9H,7-8H2,1-2H3,(H2,19,23)
InChIKeyDQYXSJULLYQHIX-UHFFFAOYSA-N
XLogP3.22
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide?
The IUPAC name of 3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide (CID 21088632) is 3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide is Cc1ncn(-c2nc(-c3ccc(Cl)cc3)c(CCC(N)=O)o2)c1C.
What is the InChIKey of 3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide?
The InChIKey is DQYXSJULLYQHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-10-11(2)22(9-20-10)17-21-16(12-3-5-13(18)6-4-12)14(24-17)7-8-15(19)23/h3-6,9H,7-8H2,1-2H3,(H2,19,23).
What are the key properties of 3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide?
3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide has a molecular weight of 344.80 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide is sourced from PubChem (CID 21088632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).