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

C17H24N2O — CID 65187113

IUPACN-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCCNCCCc1ncc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C17H24N2O/c1-4-18-11-5-6-17-19-12-16(20-17)15-9-7-14(8-10-15)13(2)3/h7-10,12-13,18H,4-6,11H2,1-3H3
InChIKeyDYMHTBHXLDQQRG-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.01
Rot. Bonds7

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

N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65187113) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65187113
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCCNCCCc1ncc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C17H24N2O/c1-4-18-11-5-6-17-19-12-16(20-17)15-9-7-14(8-10-15)13(2)3/h7-10,12-13,18H,4-6,11H2,1-3H3
InChIKeyDYMHTBHXLDQQRG-UHFFFAOYSA-N
XLogP4.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.01
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

3-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187301
2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182553
2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182659
2-methyl-N-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 65184743
3-[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 81488018
N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182302
N-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 65185138
3-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 107941923
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187402
3-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187422
N-[3-(dimethylamino)propyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784851
N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186772

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine (CID 65187113) is N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine is CCNCCCc1ncc(-c2ccc(C(C)C)cc2)o1.
What is the InChIKey of N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is DYMHTBHXLDQQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-18-11-5-6-17-19-12-16(20-17)15-9-7-14(8-10-15)13(2)3/h7-10,12-13,18H,4-6,11H2,1-3H3.
What are the key properties of N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine?
N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65187113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).