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

C14H22N2O — CID 83150596

IUPACN-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESCC(c1cnc(CCCNC2CC2)o1)C1CC1
InChIInChI=1S/C14H22N2O/c1-10(11-4-5-11)13-9-16-14(17-13)3-2-8-15-12-6-7-12/h9-12,15H,2-8H2,1H3
InChIKeyJXBOTDRBHIZRLG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.87
Rot. Bonds7

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

N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (PubChem CID 83150596) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
PubChem CID83150596
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
SMILESCC(c1cnc(CCCNC2CC2)o1)C1CC1
InChIInChI=1S/C14H22N2O/c1-10(11-4-5-11)13-9-16-14(17-13)3-2-8-15-12-6-7-12/h9-12,15H,2-8H2,1H3
InChIKeyJXBOTDRBHIZRLG-UHFFFAOYSA-N
XLogP2.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.87
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

((5-Cyclopropyl-1,3-oxazol-2-yl)methyl)(methyl)amine dihydrochloride
CID 146050201
[(5-Cyclopropyl-1,3-oxazol-2-yl)methyl](methyl)amine
CID 65178506
N-ethyl-3-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65713440
N-propyl-3-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65713441
N-propan-2-yl-3-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65713442
N-[3-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65713640
2-methyl-N-[3-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-2-yl]propyl]propan-2-amine
CID 65713641
2-methyl-N-[3-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 65713642
N-[[5-(4,4-difluorocyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 81934029
3-[5-(4,4-difluorocyclohexyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 81934281
3-[5-(4,4-difluorocyclohexyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 81934311
3-[5-(4,4-difluorocyclohexyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 81934337

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine (CID 83150596) is N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is CC(c1cnc(CCCNC2CC2)o1)C1CC1.
What is the InChIKey of N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
The InChIKey is JXBOTDRBHIZRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(11-4-5-11)13-9-16-14(17-13)3-2-8-15-12-6-7-12/h9-12,15H,2-8H2,1H3.
What are the key properties of N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine has a molecular weight of 234.34 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 83150596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).