N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine

C8H13FN2O — CID 106372525

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine
SMILESCc1nc(CNCCF)oc1C
InChIInChI=1S/C8H13FN2O/c1-6-7(2)12-8(11-6)5-10-4-3-9/h10H,3-5H2,1-2H3
InChIKeyPFBZGAYQUMHSJA-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.35
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine (PubChem CID 106372525) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine
PubChem CID106372525
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine
SMILESCc1nc(CNCCF)oc1C
InChIInChI=1S/C8H13FN2O/c1-6-7(2)12-8(11-6)5-10-4-3-9/h10H,3-5H2,1-2H3
InChIKeyPFBZGAYQUMHSJA-UHFFFAOYSA-N
XLogP1.35
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4,5-Trimethyloxazole
CID 30215
2-Ethyl-4,5-dimethyloxazole
CID 62069
4-(Aminomethyl)-2,5-dimethyl-1,3-oxazole
CID 16658924
(4,5-Dimethyl-1,3-Oxazol-2-Yl)Methanamine
CID 28293489
(Dimethyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 118991322
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea
CID 47360467
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 47360646
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea
CID 47361631
(1-((Dimethyl-1,3-oxazol-2-yl)methyl)piperidin-4-yl)methanamine
CID 52203126
(2-Ethyl-4-methyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 119031976
(Dimethyl-1,3-oxazol-2-yl)methanamine dihydrochloride
CID 137838497
1-[(Dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane
CID 53532524

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine (CID 106372525) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine is Cc1nc(CNCCF)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine?
The InChIKey is PFBZGAYQUMHSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-6-7(2)12-8(11-6)5-10-4-3-9/h10H,3-5H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine has a molecular weight of 172.20 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine is sourced from PubChem (CID 106372525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).