N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine

C15H16F2N2O — CID 65187135

IUPACN-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESFc1cccc(F)c1-c1cnc(CCCNC2CC2)o1
InChIInChI=1S/C15H16F2N2O/c16-11-3-1-4-12(17)15(11)13-9-19-14(20-13)5-2-8-18-10-6-7-10/h1,3-4,9-10,18H,2,5-8H2
InChIKeyDQNZIJSKNWINLV-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.30
Rot. Bonds6

About N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine

N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (PubChem CID 65187135) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
PubChem CID65187135
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC NameN-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESFc1cccc(F)c1-c1cnc(CCCNC2CC2)o1
InChIInChI=1S/C15H16F2N2O/c16-11-3-1-4-12(17)15(11)13-9-19-14(20-13)5-2-8-18-10-6-7-10/h1,3-4,9-10,18H,2,5-8H2
InChIKeyDQNZIJSKNWINLV-UHFFFAOYSA-N
XLogP3.30
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[5-(2,4,6-trifluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187331
N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 107100479
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184898
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-bromothiophen-2-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65186997
N-[3-[5-(3-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187137
3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 114561201
N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187240
N-[3-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 66120698
N-[3-[5-(5-iodothiophen-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 79690651
N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182015

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (CID 65187135) is N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is Fc1cccc(F)c1-c1cnc(CCCNC2CC2)o1.
What is the InChIKey of N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The InChIKey is DQNZIJSKNWINLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c16-11-3-1-4-12(17)15(11)13-9-19-14(20-13)5-2-8-18-10-6-7-10/h1,3-4,9-10,18H,2,5-8H2.
What are the key properties of N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine has a molecular weight of 278.30 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 65187135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).