N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine

C13H15BrN2OS — CID 65186997

IUPACN-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESBrc1ccsc1-c1cnc(CCCNC2CC2)o1
InChIInChI=1S/C13H15BrN2OS/c14-10-5-7-18-13(10)11-8-16-12(17-11)2-1-6-15-9-3-4-9/h5,7-9,15H,1-4,6H2
InChIKeyKFVAXYZBJYFWED-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.85
Rot. Bonds6

About N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine

N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (PubChem CID 65186997) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
PubChem CID65186997
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC NameN-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESBrc1ccsc1-c1cnc(CCCNC2CC2)o1
InChIInChI=1S/C13H15BrN2OS/c14-10-5-7-18-13(10)11-8-16-12(17-11)2-1-6-15-9-3-4-9/h5,7-9,15H,1-4,6H2
InChIKeyKFVAXYZBJYFWED-UHFFFAOYSA-N
XLogP3.85
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine with MolForge

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Related Compounds

N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184894
3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184545
N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187135
N-[3-[5-(5-iodothiophen-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 79690651
N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65184219
N-[3-[5-(2,4,6-trifluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187331
N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187137
N-[[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183857
N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65186990
N-[3-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187330
N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 107100479
N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186772

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (CID 65186997) is N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is Brc1ccsc1-c1cnc(CCCNC2CC2)o1.
What is the InChIKey of N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The InChIKey is KFVAXYZBJYFWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c14-10-5-7-18-13(10)11-8-16-12(17-11)2-1-6-15-9-3-4-9/h5,7-9,15H,1-4,6H2.
What are the key properties of N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine has a molecular weight of 327.25 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 65186997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).