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

C18H24N2O — CID 65187240

IUPACN-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESc1ccc(CCCc2cnc(CCCNC3CC3)o2)cc1
InChIInChI=1S/C18H24N2O/c1-2-6-15(7-3-1)8-4-9-17-14-20-18(21-17)10-5-13-19-16-11-12-16/h1-3,6-7,14,16,19H,4-5,8-13H2
InChIKeySSYYWDLLAPGLEX-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.53
Rot. Bonds9

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

N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (PubChem CID 65187240) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
PubChem CID65187240
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESc1ccc(CCCc2cnc(CCCNC3CC3)o2)cc1
InChIInChI=1S/C18H24N2O/c1-2-6-15(7-3-1)8-4-9-17-14-20-18(21-17)10-5-13-19-16-11-12-16/h1-3,6-7,14,16,19H,4-5,8-13H2
InChIKeySSYYWDLLAPGLEX-UHFFFAOYSA-N
XLogP3.53
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.53
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

2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole
CID 65180237
N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 114459249
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine
CID 65180073
N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182439
2-methyl-N-[[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184071
N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187135
N-[2-[5-(2-cyclopentylethyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182303
N-(4-phenylbutyl)oxan-4-amine
CID 115651772
4-(3-phenylpropylamino)cyclohexan-1-one
CID 15290860
N-[2-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182633
N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 83150596

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (CID 65187240) is N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is c1ccc(CCCc2cnc(CCCNC3CC3)o2)cc1.
What is the InChIKey of N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The InChIKey is SSYYWDLLAPGLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-6-15(7-3-1)8-4-9-17-14-20-18(21-17)10-5-13-19-16-11-12-16/h1-3,6-7,14,16,19H,4-5,8-13H2.
What are the key properties of N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine has a molecular weight of 284.40 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 65187240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).