N-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

C11H11IN2OS — CID 79690662

IUPACN-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESIc1cc(-c2ocnc2CNC2CC2)cs1
InChIInChI=1S/C11H11IN2OS/c12-10-3-7(5-16-10)11-9(14-6-15-11)4-13-8-1-2-8/h3,5-6,8,13H,1-2,4H2
InChIKeySFKXAUFFTZHIJX-UHFFFAOYSA-N
MW346.19 g/mol
LogP3.26
Rot. Bonds4

About N-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

N-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 79690662) has the molecular formula C11H11IN2OS and a molecular weight of 346.19 g/mol. Its IUPAC name is N-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID79690662
Molecular FormulaC11H11IN2OS
Molecular Weight346.19 g/mol
Exact Mass345.96
IUPAC NameN-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESIc1cc(-c2ocnc2CNC2CC2)cs1
InChIInChI=1S/C11H11IN2OS/c12-10-3-7(5-16-10)11-9(14-6-15-11)4-13-8-1-2-8/h3,5-6,8,13H,1-2,4H2
InChIKeySFKXAUFFTZHIJX-UHFFFAOYSA-N
XLogP3.26
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(5-bromo-2-iodophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 114032303
N-[[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146129
N-[[5-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 81487884
N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145659
N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]cyclopropanamine
CID 79144994
N-[[5-(2-bromofuran-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 106856519
N-[[5-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145567
N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146134
N-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145001
N-[3-[5-(5-iodothiophen-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 79690651
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145568
N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79144718

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 79690662) is N-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is Ic1cc(-c2ocnc2CNC2CC2)cs1.
What is the InChIKey of N-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is SFKXAUFFTZHIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2OS/c12-10-3-7(5-16-10)11-9(14-6-15-11)4-13-8-1-2-8/h3,5-6,8,13H,1-2,4H2.
What are the key properties of N-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 346.19 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79690662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).