N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine

C12H20N2O2 — CID 115896742

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine
SMILESCCC(NC1CCOC1)c1c(C)noc1C
InChIInChI=1S/C12H20N2O2/c1-4-11(13-10-5-6-15-7-10)12-8(2)14-16-9(12)3/h10-11,13H,4-7H2,1-3H3
InChIKeyLSMILFBMAWTRQK-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.12
Rot. Bonds4

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine (PubChem CID 115896742) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine
PubChem CID115896742
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine
SMILESCCC(NC1CCOC1)c1c(C)noc1C
InChIInChI=1S/C12H20N2O2/c1-4-11(13-10-5-6-15-7-10)12-8(2)14-16-9(12)3/h10-11,13H,4-7H2,1-3H3
InChIKeyLSMILFBMAWTRQK-UHFFFAOYSA-N
XLogP2.12
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine 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-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pentan-3-amine
CID 115896745
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 79236450
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-methylbutan-1-amine
CID 115888090
N-[1-(3-fluorophenyl)propyl]oxolan-3-amine
CID 114871720
2-[(1S)-1-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]amino]propyl]phenol
CID 99703169
2-[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]propyl]phenol
CID 102561803
N-(2-methylpentan-3-yl)oxolan-3-amine
CID 63335155
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanamine
CID 79237126
N-[1-(4-fluorophenyl)propyl]oxan-3-amine
CID 63360091
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 75441563
(2R)-2-(oxolan-3-ylamino)butan-1-ol
CID 103922432
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133462111

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine (CID 115896742) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine is CCC(NC1CCOC1)c1c(C)noc1C.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine?
The InChIKey is LSMILFBMAWTRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-11(13-10-5-6-15-7-10)12-8(2)14-16-9(12)3/h10-11,13H,4-7H2,1-3H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine has a molecular weight of 224.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]oxolan-3-amine is sourced from PubChem (CID 115896742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).