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

C9H16N2O2 — CID 59539336

IUPACN-[(3-methoxy-1,2-oxazol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCOc1cc(CNC(C)(C)C)on1
InChIInChI=1S/C9H16N2O2/c1-9(2,3)10-6-7-5-8(12-4)11-13-7/h5,10H,6H2,1-4H3
InChIKeyPMZFGAYVJBBNNE-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.57
Rot. Bonds3

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

N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-2-methylpropan-2-amine (PubChem CID 59539336) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-methoxy-1,2-oxazol-5-yl)methyl]-2-methylpropan-2-amine
PubChem CID59539336
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-[(3-methoxy-1,2-oxazol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCOc1cc(CNC(C)(C)C)on1
InChIInChI=1S/C9H16N2O2/c1-9(2,3)10-6-7-5-8(12-4)11-13-7/h5,10H,6H2,1-4H3
InChIKeyPMZFGAYVJBBNNE-UHFFFAOYSA-N
XLogP1.57
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Methoxy-ethyl)-[3-(3-piperidin-1-yl-propoxy)-isoxazol-5-ylmethyl]-amine
CID 11666530
3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole
CID 56949762
3-Methoxy-5-isoxazolemethanamine
CID 2763227
2-ethyl-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-methylmorpholine-4-carboxamide
CID 132314926
N'-[[3-(trifluoromethoxy)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine
CID 70458636
1-N'-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]ethane-1,1-diamine
CID 20589476
(3-Methoxyisoxazol-5-yl)methanamine hydrochloride
CID 21292276
Ethyl [5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazol-3-yl] carbonate
CID 21694578
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]formamide
CID 54379071
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]acetamide
CID 59223456
1-(3-butoxy-1,2-oxazol-5-yl)-N,N-dimethylmethanamine
CID 68095879
(1S)-1-(3-butoxy-1,2-oxazol-5-yl)-N-methylprop-2-en-1-amine
CID 68167698

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-2-methylpropan-2-amine (CID 59539336) is N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-2-methylpropan-2-amine is COc1cc(CNC(C)(C)C)on1.
What is the InChIKey of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is PMZFGAYVJBBNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,3)10-6-7-5-8(12-4)11-13-7/h5,10H,6H2,1-4H3.
What are the key properties of N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-2-methylpropan-2-amine?
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 184.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 59539336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).