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

C12H16N2O2 — CID 114824033

IUPACN-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCc1cc(-c2ocnc2CNC(C)C)co1
InChIInChI=1S/C12H16N2O2/c1-8(2)13-5-11-12(16-7-14-11)10-4-9(3)15-6-10/h4,6-8,13H,5H2,1-3H3
InChIKeyCHWRINJTOAJLAP-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.74
Rot. Bonds4

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

N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 114824033) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID114824033
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCc1cc(-c2ocnc2CNC(C)C)co1
InChIInChI=1S/C12H16N2O2/c1-8(2)13-5-11-12(16-7-14-11)10-4-9(3)15-6-10/h4,6-8,13H,5H2,1-3H3
InChIKeyCHWRINJTOAJLAP-UHFFFAOYSA-N
XLogP2.74
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 114824029
2-methyl-N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 114824037
N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine
CID 79145650
N-[[5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145454
N-[[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145453
N-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145836
N-[[5-(2,5-difluorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79144702
N-[[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145835
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79146027
N-[[5-(propan-2-yloxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 112605902
N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145548
N-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 107943979

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 114824033) is N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine is Cc1cc(-c2ocnc2CNC(C)C)co1.
What is the InChIKey of N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is CHWRINJTOAJLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)13-5-11-12(16-7-14-11)10-4-9(3)15-6-10/h4,6-8,13H,5H2,1-3H3.
What are the key properties of N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 220.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 114824033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).