3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide

C15H18N2O2 — CID 2225201

IUPAC3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCCc1ccccc1
InChIInChI=1S/C15H18N2O2/c1-11-14(12(2)19-17-11)15(18)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H,16,18)
InChIKeyIMDZNKVPALSKFI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.65
Rot. Bonds5

About 3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide (PubChem CID 2225201) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide
PubChem CID2225201
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCCc1ccccc1
InChIInChI=1S/C15H18N2O2/c1-11-14(12(2)19-17-11)15(18)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H,16,18)
InChIKeyIMDZNKVPALSKFI-UHFFFAOYSA-N
XLogP2.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.65
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

1-benzyl-5-(3,5-dimethylisoxazol-4-yl)pyridin-2(1H)-one
CID 76683643
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
3-(2-chlorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
CID 707574
Mls003170801
CID 332790
N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245261
Cambridge id 5777587
CID 869900
N-(2-bromobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247401
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
N-(4-cyanophenyl)-3,5-dimethylisoxazole-4-carboxamide
CID 2741509
N-{4-[(3,5-dimethylisoxazol-4-yl)carbonylamino]phenyl}acetamide
CID 4791027
N-[4-(diethylamino)phenyl]-3,5-dimethyl-4-isoxazolecarboxamide
CID 4791029

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide (CID 2225201) is 3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCCc1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide?
The InChIKey is IMDZNKVPALSKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-14(12(2)19-17-11)15(18)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H,16,18).
What are the key properties of 3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2225201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).