N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine

C13H25N3O — CID 62412799

IUPACN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine
SMILESCCCCN(Cc1cc(CN)no1)C(C)CC
InChIInChI=1S/C13H25N3O/c1-4-6-7-16(11(3)5-2)10-13-8-12(9-14)15-17-13/h8,11H,4-7,9-10,14H2,1-3H3
InChIKeyPBXCTCJIXQVRAB-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.53
Rot. Bonds8

About N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine

N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine (PubChem CID 62412799) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine
PubChem CID62412799
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine
SMILESCCCCN(Cc1cc(CN)no1)C(C)CC
InChIInChI=1S/C13H25N3O/c1-4-6-7-16(11(3)5-2)10-13-8-12(9-14)15-17-13/h8,11H,4-7,9-10,14H2,1-3H3
InChIKeyPBXCTCJIXQVRAB-UHFFFAOYSA-N
XLogP2.53
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine?
The IUPAC name of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine (CID 62412799) is N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine is CCCCN(Cc1cc(CN)no1)C(C)CC.
What is the InChIKey of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine?
The InChIKey is PBXCTCJIXQVRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-6-7-16(11(3)5-2)10-13-8-12(9-14)15-17-13/h8,11H,4-7,9-10,14H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine?
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butan-2-ylbutan-1-amine is sourced from PubChem (CID 62412799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).