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

C18H20N4O2 — CID 97065800

IUPAC(3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide
SMILESCc1noc(C)c1[C@H](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)/t11-/m1/s1
InChIKeyWLMIFBOWUNCFPI-LLVKDONJSA-N
MW324.38 g/mol
LogP3.81
Rot. Bonds5

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

(3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide (PubChem CID 97065800) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide
PubChem CID97065800
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide
SMILESCc1noc(C)c1[C@H](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)/t11-/m1/s1
InChIKeyWLMIFBOWUNCFPI-LLVKDONJSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide?
The IUPAC name of (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide (CID 97065800) is (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide.
What is the SMILES notation for (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide?
The canonical SMILES for (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide is Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccccc1-c1ncc[nH]1.
What is the InChIKey of (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide?
The InChIKey is WLMIFBOWUNCFPI-LLVKDONJSA-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)/t11-/m1/s1.
What are the key properties of (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide?
(3R)-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 (3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1H-imidazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 97065800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).