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

C12H14N2O2 — CID 146137708

IUPACN-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine
SMILESc1coc(CNCc2cc(C3CC3)no2)c1
InChIInChI=1S/C12H14N2O2/c1-2-10(15-5-1)7-13-8-11-6-12(14-16-11)9-3-4-9/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyNWWWDRDRAFCHLI-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.43
Rot. Bonds5

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

N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine (PubChem CID 146137708) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine
PubChem CID146137708
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine
SMILESc1coc(CNCc2cc(C3CC3)no2)c1
InChIInChI=1S/C12H14N2O2/c1-2-10(15-5-1)7-13-8-11-6-12(14-16-11)9-3-4-9/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyNWWWDRDRAFCHLI-UHFFFAOYSA-N
XLogP2.43
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclobutyl-1,2-oxazol-5-yl)-N-methylmethanamine
CID 83845888
4-(5-amino-1,2-oxazol-3-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide
CID 53146630
3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine
CID 122168879
N-(furan-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107178330
N-(furan-2-ylmethyl)-1-(oxan-2-yl)methanamine
CID 43403599
6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55719913
6-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17393292
1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 39371016
N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62444852
N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 54878651
1-(1-cyclopropylpyrrol-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 46784886
1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 138001164

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine (CID 146137708) is N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine is c1coc(CNCc2cc(C3CC3)no2)c1.
What is the InChIKey of N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine?
The InChIKey is NWWWDRDRAFCHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-10(15-5-1)7-13-8-11-6-12(14-16-11)9-3-4-9/h1-2,5-6,9,13H,3-4,7-8H2.
What are the key properties of N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine?
N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine has a molecular weight of 218.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 146137708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).