4-iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole

C14H19IN2OS — CID 166727457

IUPAC4-iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole
SMILESCc1cnc(C(C)CCc2onc(C(C)C)c2I)s1
InChIInChI=1S/C14H19IN2OS/c1-8(2)13-12(15)11(18-17-13)6-5-9(3)14-16-7-10(4)19-14/h7-9H,5-6H2,1-4H3
InChIKeyQRFSJZKYXIWAIU-UHFFFAOYSA-N
MW390.29 g/mol
LogP4.90
Rot. Bonds5

About 4-iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole

4-iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole (PubChem CID 166727457) has the molecular formula C14H19IN2OS and a molecular weight of 390.29 g/mol. Its IUPAC name is 4-iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name4-iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole
PubChem CID166727457
Molecular FormulaC14H19IN2OS
Molecular Weight390.29 g/mol
Exact Mass390.03
IUPAC Name4-iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole
SMILESCc1cnc(C(C)CCc2onc(C(C)C)c2I)s1
InChIInChI=1S/C14H19IN2OS/c1-8(2)13-12(15)11(18-17-13)6-5-9(3)14-16-7-10(4)19-14/h7-9H,5-6H2,1-4H3
InChIKeyQRFSJZKYXIWAIU-UHFFFAOYSA-N
XLogP4.90
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 4-iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole (CID 166727457) is 4-iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 4-iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 4-iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole is Cc1cnc(C(C)CCc2onc(C(C)C)c2I)s1.
What is the InChIKey of 4-iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole?
The InChIKey is QRFSJZKYXIWAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2OS/c1-8(2)13-12(15)11(18-17-13)6-5-9(3)14-16-7-10(4)19-14/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole?
4-iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 390.29 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 166727457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).