(2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium

C14H17FN3O2+ — CID 9034400

IUPAC(2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
SMILESCc1cc(NC(=O)C[NH+](C)Cc2ccccc2F)no1
InChIInChI=1S/C14H16FN3O2/c1-10-7-13(17-20-10)16-14(19)9-18(2)8-11-5-3-4-6-12(11)15/h3-7H,8-9H2,1-2H3,(H,16,17,19)/p+1
InChIKeyZPKQZZSJGBMHJB-UHFFFAOYSA-O
MW278.31 g/mol
LogP0.78
Rot. Bonds5

About (2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium

(2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium (PubChem CID 9034400) has the molecular formula C14H17FN3O2+ and a molecular weight of 278.31 g/mol. Its IUPAC name is (2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name(2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
PubChem CID9034400
Molecular FormulaC14H17FN3O2+
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
SMILESCc1cc(NC(=O)C[NH+](C)Cc2ccccc2F)no1
InChIInChI=1S/C14H16FN3O2/c1-10-7-13(17-20-10)16-14(19)9-18(2)8-11-5-3-4-6-12(11)15/h3-7H,8-9H2,1-2H3,(H,16,17,19)/p+1
InChIKeyZPKQZZSJGBMHJB-UHFFFAOYSA-O
XLogP0.78
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 110614533
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9034874
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035345
2-[2-(2-fluorophenyl)ethylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110619310
[2-(2,4-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035151
1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
CID 8746882
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113119233
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113121052
2-(2,6-difluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109011324
(2-fluorophenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035142
N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109020837
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035217

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium?
The IUPAC name of (2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium (CID 9034400) is (2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for (2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium?
The canonical SMILES for (2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium is Cc1cc(NC(=O)C[NH+](C)Cc2ccccc2F)no1.
What is the InChIKey of (2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium?
The InChIKey is ZPKQZZSJGBMHJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H16FN3O2/c1-10-7-13(17-20-10)16-14(19)9-18(2)8-11-5-3-4-6-12(11)15/h3-7H,8-9H2,1-2H3,(H,16,17,19)/p+1.
What are the key properties of (2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium?
(2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium has a molecular weight of 278.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9034400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).