3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide

C18H19ClN4O3 — CID 57157600

IUPAC3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide
SMILESCOC(C)(CC(N)=O)c1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O3/c1-11-21-8-9-23(11)17-22-15(12-4-6-13(19)7-5-12)16(26-17)18(2,25-3)10-14(20)24/h4-9H,10H2,1-3H3,(H2,20,24)
InChIKeyBMNBECVIXKPVIU-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.23
Rot. Bonds6

About 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide

3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide (PubChem CID 57157600) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide
PubChem CID57157600
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide
SMILESCOC(C)(CC(N)=O)c1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O3/c1-11-21-8-9-23(11)17-22-15(12-4-6-13(19)7-5-12)16(26-17)18(2,25-3)10-14(20)24/h4-9H,10H2,1-3H3,(H2,20,24)
InChIKeyBMNBECVIXKPVIU-UHFFFAOYSA-N
XLogP3.23
TPSA96.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide?
The IUPAC name of 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide (CID 57157600) is 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide is COC(C)(CC(N)=O)c1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide?
The InChIKey is BMNBECVIXKPVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-11-21-8-9-23(11)17-22-15(12-4-6-13(19)7-5-12)16(26-17)18(2,25-3)10-14(20)24/h4-9H,10H2,1-3H3,(H2,20,24).
What are the key properties of 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide?
3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide has a molecular weight of 374.83 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-1,3-oxazol-5-yl]-3-methoxybutanamide is sourced from PubChem (CID 57157600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).