N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine

C12H20N2O — CID 65183913

IUPACN-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESCC(C)CCc1cnc(CNC2CC2)o1
InChIInChI=1S/C12H20N2O/c1-9(2)3-6-11-7-14-12(15-11)8-13-10-4-5-10/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyRKKPJXCFYNQBCB-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.52
Rot. Bonds6

About N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine

N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (PubChem CID 65183913) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
PubChem CID65183913
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESCC(C)CCc1cnc(CNC2CC2)o1
InChIInChI=1S/C12H20N2O/c1-9(2)3-6-11-7-14-12(15-11)8-13-10-4-5-10/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyRKKPJXCFYNQBCB-UHFFFAOYSA-N
XLogP2.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184333
2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182651
N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 103311183
N-[[5-(3,5-dimethylphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184115
N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145469
N-[(2-methyl-1,3-oxazol-5-yl)methyl]cyclopropanamine
CID 117192172
4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 103275539
2-[(cyclopentylamino)methyl]-1,3-oxazol-5-amine
CID 117187878
N-[[5-(4-tert-butylcyclohexyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184155
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103096714
N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182439
N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine
CID 65172120

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (CID 65183913) is N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is CC(C)CCc1cnc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The InChIKey is RKKPJXCFYNQBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)3-6-11-7-14-12(15-11)8-13-10-4-5-10/h7,9-10,13H,3-6,8H2,1-2H3.
What are the key properties of N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine has a molecular weight of 208.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65183913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).