N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine

C13H22N2O2 — CID 79145839

IUPACN-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1CCC1CCCO1
InChIInChI=1S/C13H22N2O2/c1-10(2)14-8-12-13(17-9-15-12)6-5-11-4-3-7-16-11/h9-11,14H,3-8H2,1-2H3
InChIKeyVQJCTBYZCZMTBA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.28
Rot. Bonds6

About N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine

N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 79145839) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID79145839
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1CCC1CCCO1
InChIInChI=1S/C13H22N2O2/c1-10(2)14-8-12-13(17-9-15-12)6-5-11-4-3-7-16-11/h9-11,14H,3-8H2,1-2H3
InChIKeyVQJCTBYZCZMTBA-UHFFFAOYSA-N
XLogP2.28
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]ethanamine
CID 79144689
N-[[5-(propan-2-yloxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 112605902
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145469
N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 65158505
N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291428
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 138018172
3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 65161041
N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276802
1-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]ethanamine
CID 65178963
N-[[2-[3-(oxolan-2-yl)propyl]cyclobutyl]methyl]propan-2-amine
CID 81017533
N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145548

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 79145839) is N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine is CC(C)NCc1ncoc1CCC1CCCO1.
What is the InChIKey of N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is VQJCTBYZCZMTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)14-8-12-13(17-9-15-12)6-5-11-4-3-7-16-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine?
N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 238.33 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79145839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).