3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine

C13H14F2N2O — CID 82818945

IUPAC3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCc1ccc(F)c(-c2cnc(CCCN)o2)c1F
InChIInChI=1S/C13H14F2N2O/c1-8-4-5-9(14)12(13(8)15)10-7-17-11(18-10)3-2-6-16/h4-5,7H,2-3,6,16H2,1H3
InChIKeyIKDQWBSNMFCGAE-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.82
Rot. Bonds4

About 3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine

3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 82818945) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID82818945
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCc1ccc(F)c(-c2cnc(CCCN)o2)c1F
InChIInChI=1S/C13H14F2N2O/c1-8-4-5-9(14)12(13(8)15)10-7-17-11(18-10)3-2-6-16/h4-5,7H,2-3,6,16H2,1H3
InChIKeyIKDQWBSNMFCGAE-UHFFFAOYSA-N
XLogP2.82
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenyl oxazole
CID 589311
2-Cyclohexyl-5-phenyloxazole
CID 87832
5-(4-Methylphenyl)-1,3-oxazole
CID 2739179
4-(5-Oxazolyl)benzylamine
CID 21930993
2-Methyl-5-Phenyl-1,3-Oxazole
CID 248491
5-Phenyl-2-(4-(piperidin-1-yl)butyl)oxazole
CID 52946272
1-(5-Phenyloxazol-2-yl)octadec-9-en-1-one
CID 11154099
1-(5-(2-Fluorophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110633
1-(5-(3-Fluorophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110639
3-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzonitrile
CID 16110642
1-(5-(4-Fluorophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110645
7-Phenyl-1-(5-(4-(2,2,2-trifluoroacetyl)phenyl)oxazol-2-yl)heptan-1-one
CID 16110648

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine (CID 82818945) is 3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine is Cc1ccc(F)c(-c2cnc(CCCN)o2)c1F.
What is the InChIKey of 3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is IKDQWBSNMFCGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-8-4-5-9(14)12(13(8)15)10-7-17-11(18-10)3-2-6-16/h4-5,7H,2-3,6,16H2,1H3.
What are the key properties of 3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 252.26 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 82818945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).