N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine

C15H19FN2O — CID 114873246

IUPACN-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1c(CNCC(C)C)noc1-c1cccc(F)c1
InChIInChI=1S/C15H19FN2O/c1-10(2)8-17-9-14-11(3)15(19-18-14)12-5-4-6-13(16)7-12/h4-7,10,17H,8-9H2,1-3H3
InChIKeyBUKVJNCBMDLHNR-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.53
Rot. Bonds5

About N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine

N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 114873246) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID114873246
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1c(CNCC(C)C)noc1-c1cccc(F)c1
InChIInChI=1S/C15H19FN2O/c1-10(2)8-17-9-14-11(3)15(19-18-14)12-5-4-6-13(16)7-12/h4-7,10,17H,8-9H2,1-3H3
InChIKeyBUKVJNCBMDLHNR-UHFFFAOYSA-N
XLogP3.53
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole
CID 114873250
N-[[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 114834516
N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide
CID 167823701
2-methyl-N-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propan-1-amine
CID 11149259
N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 65240105
N-[[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 66069962
N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide
CID 166330645
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 60672878
N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63065066
4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 9420037
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199475
5-(3-fluorophenyl)-4-methyl-1,3-oxazole
CID 67982828

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine (CID 114873246) is N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine is Cc1c(CNCC(C)C)noc1-c1cccc(F)c1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BUKVJNCBMDLHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-10(2)8-17-9-14-11(3)15(19-18-14)12-5-4-6-13(16)7-12/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 262.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114873246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).