N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

C17H26N4O2 — CID 72935543

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCc1noc(C)c1CCCNC(=O)C(C)n1ccnc1C(C)C
InChIInChI=1S/C17H26N4O2/c1-11(2)16-18-9-10-21(16)13(4)17(22)19-8-6-7-15-12(3)20-23-14(15)5/h9-11,13H,6-8H2,1-5H3,(H,19,22)
InChIKeyUEXHCKLOFFDOQH-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.92
Rot. Bonds7

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 72935543) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID72935543
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCc1noc(C)c1CCCNC(=O)C(C)n1ccnc1C(C)C
InChIInChI=1S/C17H26N4O2/c1-11(2)16-18-9-10-21(16)13(4)17(22)19-8-6-7-15-12(3)20-23-14(15)5/h9-11,13H,6-8H2,1-5H3,(H,19,22)
InChIKeyUEXHCKLOFFDOQH-UHFFFAOYSA-N
XLogP2.92
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72837875
(2R)-N-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97269122
(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 97190344
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72913970
2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122560829
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72890918
(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide
CID 97279364
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]propanamide
CID 155492856
2-(2-propan-2-ylimidazol-1-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]propanamide
CID 72918314
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72934835
(2S)-2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbutanamide
CID 119320910
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90561194

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 72935543) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is Cc1noc(C)c1CCCNC(=O)C(C)n1ccnc1C(C)C.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is UEXHCKLOFFDOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(2)16-18-9-10-21(16)13(4)17(22)19-8-6-7-15-12(3)20-23-14(15)5/h9-11,13H,6-8H2,1-5H3,(H,19,22).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 72935543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).