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

C14H22N2O2 — CID 114823715

IUPACN-[3-[5-(5-methyloxolan-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESCC1CC(c2cnc(CCCNC3CC3)o2)CO1
InChIInChI=1S/C14H22N2O2/c1-10-7-11(9-17-10)13-8-16-14(18-13)3-2-6-15-12-4-5-12/h8,10-12,15H,2-7,9H2,1H3
InChIKeyXEVAQINPBNIMOX-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.25
Rot. Bonds6

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

N-[3-[5-(5-methyloxolan-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (PubChem CID 114823715) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[3-[5-(5-methyloxolan-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(5-methyloxolan-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
PubChem CID114823715
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[3-[5-(5-methyloxolan-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESCC1CC(c2cnc(CCCNC3CC3)o2)CO1
InChIInChI=1S/C14H22N2O2/c1-10-7-11(9-17-10)13-8-16-14(18-13)3-2-6-15-12-4-5-12/h8,10-12,15H,2-7,9H2,1H3
InChIKeyXEVAQINPBNIMOX-UHFFFAOYSA-N
XLogP2.25
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 83150596
N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182395
N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 114459249
N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187240
N-[3-[5-(2,5-dimethylfuran-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65186990
3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 65184648
N-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187135
N-[3-[5-(2,4,6-trifluorophenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187331
2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine
CID 65184839
N-[3-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187330
2-methyl-N-[3-[5-(oxan-4-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine
CID 65184626
N-[3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 107100479

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(5-methyloxolan-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(5-methyloxolan-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (CID 114823715) is N-[3-[5-(5-methyloxolan-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(5-methyloxolan-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(5-methyloxolan-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is CC1CC(c2cnc(CCCNC3CC3)o2)CO1.
What is the InChIKey of N-[3-[5-(5-methyloxolan-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The InChIKey is XEVAQINPBNIMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-7-11(9-17-10)13-8-16-14(18-13)3-2-6-15-12-4-5-12/h8,10-12,15H,2-7,9H2,1H3.
What are the key properties of N-[3-[5-(5-methyloxolan-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(5-methyloxolan-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine has a molecular weight of 250.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(5-methyloxolan-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 114823715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).