N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine

C16H22N2O — CID 65183522

IUPACN-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
SMILESCc1ccc(-c2cnc(CCNC(C)C)o2)cc1C
InChIInChI=1S/C16H22N2O/c1-11(2)17-8-7-16-18-10-15(19-16)14-6-5-12(3)13(4)9-14/h5-6,9-11,17H,7-8H2,1-4H3
InChIKeyUMMPEJDWZOOTKR-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.50
Rot. Bonds5

About N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine

N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine (PubChem CID 65183522) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
PubChem CID65183522
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
SMILESCc1ccc(-c2cnc(CCNC(C)C)o2)cc1C
InChIInChI=1S/C16H22N2O/c1-11(2)17-8-7-16-18-10-15(19-16)14-6-5-12(3)13(4)9-14/h5-6,9-11,17H,7-8H2,1-4H3
InChIKeyUMMPEJDWZOOTKR-UHFFFAOYSA-N
XLogP3.50
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 103213204
3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 81307023
N-[2-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182190
2-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65183235
N-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 106856309
3-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187422
N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186839
N-[2-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 66120101
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 82891430
3-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 81324586
N-[2-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65183124
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide
CID 41399574

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine (CID 65183522) is N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine is Cc1ccc(-c2cnc(CCNC(C)C)o2)cc1C.
What is the InChIKey of N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The InChIKey is UMMPEJDWZOOTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)17-8-7-16-18-10-15(19-16)14-6-5-12(3)13(4)9-14/h5-6,9-11,17H,7-8H2,1-4H3.
What are the key properties of N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine has a molecular weight of 258.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 65183522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).