N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine

C13H22N2O — CID 83151593

IUPACN-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(C(C)C2CC2)o1
InChIInChI=1S/C13H22N2O/c1-9(2)6-14-8-13-15-7-12(16-13)10(3)11-4-5-11/h7,9-11,14H,4-6,8H2,1-3H3
InChIKeyNRAXYHIKPVYUQA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.93
Rot. Bonds6

About N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 83151593) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID83151593
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(C(C)C2CC2)o1
InChIInChI=1S/C13H22N2O/c1-9(2)6-14-8-13-15-7-12(16-13)10(3)11-4-5-11/h7,9-11,14H,4-6,8H2,1-3H3
InChIKeyNRAXYHIKPVYUQA-UHFFFAOYSA-N
XLogP2.93
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184178
N-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181714
N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181968
N-[[5-(2,2-dimethylcyclopropyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107003479
2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 114877256
N-[[5-(2-adamantyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81099798
N-[3-[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 83150596
2-methyl-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181357
N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 82818536
2-methyl-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181413
2-methyl-N-[3-(5-propan-2-yl-1,3-oxazol-2-yl)propyl]propan-1-amine
CID 65185038
N-[[5-(2,4-dimethylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181259

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (CID 83151593) is N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ncc(C(C)C2CC2)o1.
What is the InChIKey of N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NRAXYHIKPVYUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)6-14-8-13-15-7-12(16-13)10(3)11-4-5-11/h7,9-11,14H,4-6,8H2,1-3H3.
What are the key properties of N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-cyclopropylethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 83151593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).