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

C12H16N2O2 — CID 115627609

IUPAC1-(furan-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCC(C)c1cc(CNCc2ccoc2)on1
InChIInChI=1S/C12H16N2O2/c1-9(2)12-5-11(16-14-12)7-13-6-10-3-4-15-8-10/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyKIRVRACDSPHPPI-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.68
Rot. Bonds5

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

1-(furan-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 115627609) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
PubChem CID115627609
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(furan-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCC(C)c1cc(CNCc2ccoc2)on1
InChIInChI=1S/C12H16N2O2/c1-9(2)12-5-11(16-14-12)7-13-6-10-3-4-15-8-10/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyKIRVRACDSPHPPI-UHFFFAOYSA-N
XLogP2.68
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(furan-3-yl)methanamine
CID 115646607
N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine
CID 25220772
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
N-ethyl-N-methyl-5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]pyridin-2-amine
CID 119047929
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine
CID 115720213
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930
1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79493496
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(furan-3-yl)methanamine
CID 103275149
1-(furan-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275486
1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine
CID 115720217
(2S)-1-[2-methoxy-5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 42591294
N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
CID 115686118

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(furan-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine (CID 115627609) is 1-(furan-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine is CC(C)c1cc(CNCc2ccoc2)on1.
What is the InChIKey of 1-(furan-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine?
The InChIKey is KIRVRACDSPHPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(2)12-5-11(16-14-12)7-13-6-10-3-4-15-8-10/h3-5,8-9,13H,6-7H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine?
1-(furan-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 220.27 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 115627609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).