(1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine

C7H8N2O2 — CID 82417180

IUPAC(1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine
SMILESC[C@H](N)c1nc2cocc2o1
InChIInChI=1S/C7H8N2O2/c1-4(8)7-9-5-2-10-3-6(5)11-7/h2-4H,8H2,1H3/t4-/m0/s1
InChIKeyKXRNIMQMBPCFLE-BYPYZUCNSA-N
MW152.15 g/mol
LogP1.44
Rot. Bonds1

About (1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine

(1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine (PubChem CID 82417180) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is (1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine.

Molecular Properties

Compound Name(1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine
PubChem CID82417180
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name(1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine
SMILESC[C@H](N)c1nc2cocc2o1
InChIInChI=1S/C7H8N2O2/c1-4(8)7-9-5-2-10-3-6(5)11-7/h2-4H,8H2,1H3/t4-/m0/s1
InChIKeyKXRNIMQMBPCFLE-BYPYZUCNSA-N
XLogP1.44
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-furo[3,4-d][1,3]oxazol-2-ylpropan-2-amine
CID 82414321
1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanamine
CID 82277094
1-(5-bromo-7-methyl-1,3-benzoxazol-2-yl)ethanamine
CID 82463467
2-propan-2-yl-1,3-benzoxazole-5-thiol
CID 138604621
(1S)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazol-2-yl)ethanamine
CID 82408883
(1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol
CID 66263440
1-(4-methyl-5-propan-2-yl-1,3-oxazol-2-yl)ethanamine
CID 115013442
1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 64793422
2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 43470450
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine
CID 83888273
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine
CID 117399850
5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole
CID 84678196

Frequently Asked Questions

What is the IUPAC name of (1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine?
The IUPAC name of (1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine (CID 82417180) is (1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine.
What is the SMILES notation for (1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine?
The canonical SMILES for (1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine is C[C@H](N)c1nc2cocc2o1.
What is the InChIKey of (1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine?
The InChIKey is KXRNIMQMBPCFLE-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-4(8)7-9-5-2-10-3-6(5)11-7/h2-4H,8H2,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine?
(1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine has a molecular weight of 152.15 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-furo[3,4-d][1,3]oxazol-2-ylethanamine is sourced from PubChem (CID 82417180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).