acetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene)

C29H41N3O2 — CID 142162480

IUPACacetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene)
SMILESC=CC.C=CC.CC(N)=O.CNc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C)cc1
InChIInChI=1S/C21H24N2O.2C3H6.C2H5NO/c1-14-19(15-8-12-18(22-5)13-9-15)24-20(23-14)16-6-10-17(11-7-16)21(2,3)4;2*1-3-2;1-2(3)4/h6-13,22H,1-5H3;2*3H,1H2,2H3;1H3,(H2,3,4)
InChIKeyWXNDJEQHNVCXFS-UHFFFAOYSA-N
MW463.67 g/mol
LogP7.53
Rot. Bonds3

About acetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene)

acetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene) (PubChem CID 142162480) has the molecular formula C29H41N3O2 and a molecular weight of 463.67 g/mol. Its IUPAC name is acetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene).

Molecular Properties

Compound Nameacetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene)
PubChem CID142162480
Molecular FormulaC29H41N3O2
Molecular Weight463.67 g/mol
Exact Mass463.32
IUPAC Nameacetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene)
SMILESC=CC.C=CC.CC(N)=O.CNc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C)cc1
InChIInChI=1S/C21H24N2O.2C3H6.C2H5NO/c1-14-19(15-8-12-18(22-5)13-9-15)24-20(23-14)16-6-10-17(11-7-16)21(2,3)4;2*1-3-2;1-2(3)4/h6-13,22H,1-5H3;2*3H,1H2,2H3;1H3,(H2,3,4)
InChIKeyWXNDJEQHNVCXFS-UHFFFAOYSA-N
XLogP7.53
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.67
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene)?
The IUPAC name of acetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene) (CID 142162480) is acetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene).
What is the SMILES notation for acetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene)?
The canonical SMILES for acetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene) is C=CC.C=CC.CC(N)=O.CNc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C)cc1.
What is the InChIKey of acetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene)?
The InChIKey is WXNDJEQHNVCXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O.2C3H6.C2H5NO/c1-14-19(15-8-12-18(22-5)13-9-15)24-20(23-14)16-6-10-17(11-7-16)21(2,3)4;2*1-3-2;1-2(3)4/h6-13,22H,1-5H3;2*3H,1H2,2H3;1H3,(H2,3,4).
What are the key properties of acetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene)?
acetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene) has a molecular weight of 463.67 g/mol, XLogP of 7.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;4-[2-(4-tert-butylphenyl)-4-methyl-1,3-oxazol-5-yl]-N-methylaniline;bis(prop-1-ene) is sourced from PubChem (CID 142162480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).