4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C11H13IN4O2 — CID 171132618

IUPAC4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCc1cc(NC(=O)CCCn2cc(I)cn2)no1
InChIInChI=1S/C11H13IN4O2/c1-8-5-10(15-18-8)14-11(17)3-2-4-16-7-9(12)6-13-16/h5-7H,2-4H2,1H3,(H,14,15,17)
InChIKeyZDITUXLTENQWOX-UHFFFAOYSA-N
MW360.16 g/mol
LogP2.20
Rot. Bonds5

About 4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 171132618) has the molecular formula C11H13IN4O2 and a molecular weight of 360.16 g/mol. Its IUPAC name is 4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID171132618
Molecular FormulaC11H13IN4O2
Molecular Weight360.16 g/mol
Exact Mass360.01
IUPAC Name4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCc1cc(NC(=O)CCCn2cc(I)cn2)no1
InChIInChI=1S/C11H13IN4O2/c1-8-5-10(15-18-8)14-11(17)3-2-4-16-7-9(12)6-13-16/h5-7H,2-4H2,1H3,(H,14,15,17)
InChIKeyZDITUXLTENQWOX-UHFFFAOYSA-N
XLogP2.20
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.16
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide
CID 126421662
4-(1,3-dioxoisoindol-2-yl)-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]butanamide
CID 110370396
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 2777055
N-(5-methyl-1,2-oxazol-3-yl)-3-(tetrazol-1-yl)propanamide
CID 5301293
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 95569827
N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 645214
N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide
CID 60871928
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47246136
3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370392
N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 3153701
3-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47117374
N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpentanamide
CID 5234627

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 171132618) is 4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is Cc1cc(NC(=O)CCCn2cc(I)cn2)no1.
What is the InChIKey of 4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is ZDITUXLTENQWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN4O2/c1-8-5-10(15-18-8)14-11(17)3-2-4-16-7-9(12)6-13-16/h5-7H,2-4H2,1H3,(H,14,15,17).
What are the key properties of 4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 360.16 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 171132618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).