3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide

C18H20N4O2 — CID 71910362

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide
SMILESCc1noc(C)c1C(C)CC(=O)Nc1ccccc1-c1ncc[nH]1
InChIInChI=1S/C18H20N4O2/c1-11(17-12(2)22-24-13(17)3)10-16(23)21-15-7-5-4-6-14(15)18-19-8-9-20-18/h4-9,11H,10H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyWLMIFBOWUNCFPI-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.81
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide (PubChem CID 71910362) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide
PubChem CID71910362
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide
SMILESCc1noc(C)c1C(C)CC(=O)Nc1ccccc1-c1ncc[nH]1
InChIInChI=1S/C18H20N4O2/c1-11(17-12(2)22-24-13(17)3)10-16(23)21-15-7-5-4-6-14(15)18-19-8-9-20-18/h4-9,11H,10H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyWLMIFBOWUNCFPI-UHFFFAOYSA-N
XLogP3.81
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide
CID 97065800
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxy-6-methyl-2-pyridinyl)butanamide
CID 138993062
2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 120523489
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxypropyl)butanamide
CID 109378471
N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide
CID 60613262
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
CID 110000893
2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid
CID 120531979
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 109379753
3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866205
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethyl-2-hydroxybutyl)butanamide
CID 109379728
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylcyclohexyl)butanamide
CID 154739445
3-(4-tert-butylphenyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]propanoic acid
CID 120520525

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide (CID 71910362) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide is Cc1noc(C)c1C(C)CC(=O)Nc1ccccc1-c1ncc[nH]1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide?
The InChIKey is WLMIFBOWUNCFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11(17-12(2)22-24-13(17)3)10-16(23)21-15-7-5-4-6-14(15)18-19-8-9-20-18/h4-9,11H,10H2,1-3H3,(H,19,20)(H,21,23).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide has a molecular weight of 324.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 71910362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).