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

C18H26N2O — CID 65182553

IUPAC2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)c1ccc(-c2cnc(CCNC(C)(C)C)o2)cc1
InChIInChI=1S/C18H26N2O/c1-13(2)14-6-8-15(9-7-14)16-12-19-17(21-16)10-11-20-18(3,4)5/h6-9,12-13,20H,10-11H2,1-5H3
InChIKeyVAOMAKTYGLYHNO-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.40
Rot. Bonds5

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

2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine (PubChem CID 65182553) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
PubChem CID65182553
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)c1ccc(-c2cnc(CCNC(C)(C)C)o2)cc1
InChIInChI=1S/C18H26N2O/c1-13(2)14-6-8-15(9-7-14)16-12-19-17(21-16)10-11-20-18(3,4)5/h6-9,12-13,20H,10-11H2,1-5H3
InChIKeyVAOMAKTYGLYHNO-UHFFFAOYSA-N
XLogP4.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182659
N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187113
N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182302
N-[2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182024
2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 79206242
N-(1-phenylethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784776
N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784762
N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784923
5-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]benzene-1,3-dicarboxylic acid
CID 108784921
N-[3-(dimethylamino)propyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784851
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide
CID 108784863
N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65309326

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine (CID 65182553) is 2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine is CC(C)c1ccc(-c2cnc(CCNC(C)(C)C)o2)cc1.
What is the InChIKey of 2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The InChIKey is VAOMAKTYGLYHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)14-6-8-15(9-7-14)16-12-19-17(21-16)10-11-20-18(3,4)5/h6-9,12-13,20H,10-11H2,1-5H3.
What are the key properties of 2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine has a molecular weight of 286.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 65182553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).