N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide

C16H21N3O2 — CID 71806116

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCCCc1ccc(N(C)C)cc1
InChIInChI=1S/C16H21N3O2/c1-12-15(11-18-21-12)16(20)17-10-4-5-13-6-8-14(9-7-13)19(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyVCKGABGWNAXYJR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.41
Rot. Bonds6

About N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 71806116) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID71806116
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCCCc1ccc(N(C)C)cc1
InChIInChI=1S/C16H21N3O2/c1-12-15(11-18-21-12)16(20)17-10-4-5-13-6-8-14(9-7-13)19(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyVCKGABGWNAXYJR-UHFFFAOYSA-N
XLogP2.41
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889860
N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
N-[3-[4-(dimethylamino)phenyl]propyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 37271657
4-cyano-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889856
5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide
CID 114618563
5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 86858726
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889854
N-[3-[4-(dimethylamino)phenyl]propyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 46453709
1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea
CID 91644552
N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55619038
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide
CID 16891976

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 71806116) is N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCCCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is VCKGABGWNAXYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-15(11-18-21-12)16(20)17-10-4-5-13-6-8-14(9-7-13)19(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,17,20).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71806116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).