(4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine

C8H11FN2O — CID 105434424

IUPAC(4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine
SMILESCC1(F)CCc2onc(CN)c21
InChIInChI=1S/C8H11FN2O/c1-8(9)3-2-6-7(8)5(4-10)11-12-6/h2-4,10H2,1H3
InChIKeyUBNNAVHNPNFGEP-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.26
Rot. Bonds1

About (4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine

(4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine (PubChem CID 105434424) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is (4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine
PubChem CID105434424
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name(4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine
SMILESCC1(F)CCc2onc(CN)c21
InChIInChI=1S/C8H11FN2O/c1-8(9)3-2-6-7(8)5(4-10)11-12-6/h2-4,10H2,1H3
InChIKeyUBNNAVHNPNFGEP-UHFFFAOYSA-N
XLogP1.26
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.26
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
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
(4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine
CID 105430458
(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanamine
CID 105430459
4-Fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde
CID 105434013

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine?
The IUPAC name of (4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine (CID 105434424) is (4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine.
What is the SMILES notation for (4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine?
The canonical SMILES for (4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine is CC1(F)CCc2onc(CN)c21.
What is the InChIKey of (4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine?
The InChIKey is UBNNAVHNPNFGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-8(9)3-2-6-7(8)5(4-10)11-12-6/h2-4,10H2,1H3.
What are the key properties of (4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine?
(4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine has a molecular weight of 170.19 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine is sourced from PubChem (CID 105434424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).