N-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine

C14H17FN2O — CID 79145836

IUPACN-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc(F)cc1-c1ocnc1CNC(C)C
InChIInChI=1S/C14H17FN2O/c1-9(2)16-7-13-14(18-8-17-13)12-6-11(15)5-4-10(12)3/h4-6,8-9,16H,7H2,1-3H3
InChIKeyHAHCEGGPCRMKMS-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.29
Rot. Bonds4

About N-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine

N-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 79145836) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID79145836
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc(F)cc1-c1ocnc1CNC(C)C
InChIInChI=1S/C14H17FN2O/c1-9(2)16-7-13-14(18-8-17-13)12-6-11(15)5-4-10(12)3/h4-6,8-9,16H,7H2,1-3H3
InChIKeyHAHCEGGPCRMKMS-UHFFFAOYSA-N
XLogP3.29
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2,5-difluorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79144702
N-[[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145835
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79146027
N-[[2-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288582
N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 114824033
N-[[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79144790
N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine
CID 79145650
1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 79139255
N-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79146041
N-[[5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145454
N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 62388931
N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146134

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 79145836) is N-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is Cc1ccc(F)cc1-c1ocnc1CNC(C)C.
What is the InChIKey of N-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is HAHCEGGPCRMKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-9(2)16-7-13-14(18-8-17-13)12-6-11(15)5-4-10(12)3/h4-6,8-9,16H,7H2,1-3H3.
What are the key properties of N-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
N-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 248.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79145836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).