1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine

C8H13FN2O — CID 84766267

IUPAC1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(C(C)(C)F)o1
InChIInChI=1S/C8H13FN2O/c1-8(2,9)6-4-11-7(12-6)5-10-3/h4,10H,5H2,1-3H3
InChIKeyRVTUGOWNQRKTPO-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.60
Rot. Bonds3

About 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine

1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine (PubChem CID 84766267) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine
PubChem CID84766267
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(C(C)(C)F)o1
InChIInChI=1S/C8H13FN2O/c1-8(2,9)6-4-11-7(12-6)5-10-3/h4,10H,5H2,1-3H3
InChIKeyRVTUGOWNQRKTPO-UHFFFAOYSA-N
XLogP1.60
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-2-methyloxazole
CID 528407
N-{[5-(propan-2-yl)-1,3-oxazol-2-yl]methyl}-N-(pyrrolidin-3-yl)acetamide
CID 71873201
(5-Methyl-1,3-Oxazol-2-Yl)Methanamine
CID 24254960
1-(5-Methyl-1,3-oxazol-2-yl)ethan-1-amine
CID 24255020
[5-(Propan-2-yl)-1,3-oxazol-2-yl]methanamine
CID 54594018
(5-Cyclopropyl-1,3-oxazol-2-yl)methanamine
CID 64989250
(5-Ethyl-1,3-oxazol-2-yl)methanamine
CID 65180193
2-(Bromomethyl)-5-tert-butyl-1,3-oxazole
CID 78961954
(5-Methyl-1,3-oxazol-2-yl)methanamine hydrochloride
CID 134129825
2,5-Diethyloxazole
CID 3016237
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide hydrochloride
CID 71756632
2-(2-Methyl-1,3-oxazol-5-yl)ethan-1-amine dihydrochloride
CID 137964433

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine (CID 84766267) is 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine is CNCc1ncc(C(C)(C)F)o1.
What is the InChIKey of 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The InChIKey is RVTUGOWNQRKTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-8(2,9)6-4-11-7(12-6)5-10-3/h4,10H,5H2,1-3H3.
What are the key properties of 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine?
1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine has a molecular weight of 172.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 84766267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).