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

C12H23N3O — CID 62423371

IUPACN-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(CN(C)C(C)C)on1
InChIInChI=1S/C12H23N3O/c1-9(2)13-7-11-6-12(16-14-11)8-15(5)10(3)4/h6,9-10,13H,7-8H2,1-5H3
InChIKeyHDBVZOYTCOIHAV-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.01
Rot. Bonds6

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

N-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 62423371) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID62423371
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(CN(C)C(C)C)on1
InChIInChI=1S/C12H23N3O/c1-9(2)13-7-11-6-12(16-14-11)8-15(5)10(3)4/h6,9-10,13H,7-8H2,1-5H3
InChIKeyHDBVZOYTCOIHAV-UHFFFAOYSA-N
XLogP2.01
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63656925
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]propane-1,3-diamine
CID 55227948
N-[[5-[[2-methoxyethyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 82952558
N-[[5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63864372
N-[[5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 63706151
4-ethyl-N-methyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]aniline
CID 62434937
N,2-diethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]butan-1-amine
CID 62436417
N-[[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62420414
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine
CID 62423206
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62426086
N-[[5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62437894
N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62444489

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 62423371) is N-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is CC(C)NCc1cc(CN(C)C(C)C)on1.
What is the InChIKey of N-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is HDBVZOYTCOIHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)13-7-11-6-12(16-14-11)8-15(5)10(3)4/h6,9-10,13H,7-8H2,1-5H3.
What are the key properties of N-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62423371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).