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

C9H16N2O — CID 60686114

IUPAC2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
SMILESCc1cc(CNCC(C)C)no1
InChIInChI=1S/C9H16N2O/c1-7(2)5-10-6-9-4-8(3)12-11-9/h4,7,10H,5-6H2,1-3H3
InChIKeyGIBLXAVYBKSYPU-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.73
Rot. Bonds4

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

2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine (PubChem CID 60686114) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
PubChem CID60686114
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
SMILESCc1cc(CNCC(C)C)no1
InChIInChI=1S/C9H16N2O/c1-7(2)5-10-6-9-4-8(3)12-11-9/h4,7,10H,5-6H2,1-3H3
InChIKeyGIBLXAVYBKSYPU-UHFFFAOYSA-N
XLogP1.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193441
N-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62417450
2-methyl-N-[[5-(propan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455406
(5-methyl-1,2-oxazol-3-yl)methylhydrazine
CID 66157923
3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 81106816
N,N-dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60698204
5-methyl-N-(2-methylpropyl)-1,2-oxazol-3-amine
CID 59569080
2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62446699
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]thiophene-3-carbonitrile
CID 79553621
N-[[5-(azocan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62419803
N-[(5-methyl-1,2-oxazol-3-yl)methyl]heptan-1-amine
CID 60691345
CID 89270748
CID 89270748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine (CID 60686114) is 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine is Cc1cc(CNCC(C)C)no1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine?
The InChIKey is GIBLXAVYBKSYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)5-10-6-9-4-8(3)12-11-9/h4,7,10H,5-6H2,1-3H3.
What are the key properties of 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine?
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 60686114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).