(4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine

C7H9FN2O — CID 105430458

IUPAC(4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine
SMILESNCc1noc2c1C(F)CC2
InChIInChI=1S/C7H9FN2O/c8-4-1-2-6-7(4)5(3-9)10-11-6/h4H,1-3,9H2
InChIKeyPOJDSTIDTALFOJ-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.09
Rot. Bonds1

About (4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine

(4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine (PubChem CID 105430458) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is (4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine
PubChem CID105430458
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name(4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine
SMILESNCc1noc2c1C(F)CC2
InChIInChI=1S/C7H9FN2O/c8-4-1-2-6-7(4)5(3-9)10-11-6/h4H,1-3,9H2
InChIKeyPOJDSTIDTALFOJ-UHFFFAOYSA-N
XLogP1.09
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-Tetrahydro-1,2-benzoxazol-3-ylmethanamine
CID 23006263
{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazol-3-yl}methanamine
CID 80461712
(5,5-Difluoro-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanamine hydrochloride
CID 145867140
6-fluoro-3-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
CID 89095932
[5-(Trifluoromethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanamine
CID 80461907
N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine
CID 83861464
3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-amine
CID 83861465
2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]ethanamine
CID 83861466
N-methyl-1-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine
CID 83861468
[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl]methanamine
CID 83861469
3-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 84030229
(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine
CID 105430459

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine?
The IUPAC name of (4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine (CID 105430458) is (4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine.
What is the SMILES notation for (4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine?
The canonical SMILES for (4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine is NCc1noc2c1C(F)CC2.
What is the InChIKey of (4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine?
The InChIKey is POJDSTIDTALFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c8-4-1-2-6-7(4)5(3-9)10-11-6/h4H,1-3,9H2.
What are the key properties of (4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine?
(4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine has a molecular weight of 156.16 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine is sourced from PubChem (CID 105430458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).