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

C18H26N2O — CID 65182659

IUPAC2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCC(C)CNCCc1ncc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C18H26N2O/c1-13(2)11-19-10-9-18-20-12-17(21-18)16-7-5-15(6-8-16)14(3)4/h5-8,12-14,19H,9-11H2,1-4H3
InChIKeyCNWHMJJHLSMXDJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.25
Rot. Bonds7

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

2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65182659) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65182659
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-1-amine
SMILESCC(C)CNCCc1ncc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C18H26N2O/c1-13(2)11-19-10-9-18-20-12-17(21-18)16-7-5-15(6-8-16)14(3)4/h5-8,12-14,19H,9-11H2,1-4H3
InChIKeyCNWHMJJHLSMXDJ-UHFFFAOYSA-N
XLogP4.25
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182553
2-methyl-N-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 65184743
N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187113
N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65185138
N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182302
N-[2-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 81461939
N-[3-[5-(3,5-difluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65184439
N-[2-[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 65182657
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
2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182651
N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784923

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-1-amine?
The IUPAC name of 2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65182659) is 2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CC(C)CNCCc1ncc(-c2ccc(C(C)C)cc2)o1.
What is the InChIKey of 2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is CNWHMJJHLSMXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)11-19-10-9-18-20-12-17(21-18)16-7-5-15(6-8-16)14(3)4/h5-8,12-14,19H,9-11H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 4.25, 7 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-1-amine is sourced from PubChem (CID 65182659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).