5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide

C19H26N2O2 — CID 86963264

IUPAC5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ccc(CCCNC(=O)c2ncoc2C(C)C)cc1
InChIInChI=1S/C19H26N2O2/c1-13(2)16-9-7-15(8-10-16)6-5-11-20-19(22)17-18(14(3)4)23-12-21-17/h7-10,12-14H,5-6,11H2,1-4H3,(H,20,22)
InChIKeyMQJCEOQSSBPGRH-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.28
Rot. Bonds7

About 5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide

5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide (PubChem CID 86963264) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide
PubChem CID86963264
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ccc(CCCNC(=O)c2ncoc2C(C)C)cc1
InChIInChI=1S/C19H26N2O2/c1-13(2)16-9-7-15(8-10-16)6-5-11-20-19(22)17-18(14(3)4)23-12-21-17/h7-10,12-14H,5-6,11H2,1-4H3,(H,20,22)
InChIKeyMQJCEOQSSBPGRH-UHFFFAOYSA-N
XLogP4.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.28
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

4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid
CID 71875590
(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 119322585
2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 119781845
1-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]pyrazole-3-carboxamide
CID 86963269
2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride
CID 119322588
2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119781866
4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
CID 100571968
N-[2-[[N'-methyl-N-[3-(4-propan-2-ylphenyl)propyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111549210
5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 86937462
3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119322586
N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 75381879
2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide
CID 71924014

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide (CID 86963264) is 5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide is CC(C)c1ccc(CCCNC(=O)c2ncoc2C(C)C)cc1.
What is the InChIKey of 5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide?
The InChIKey is MQJCEOQSSBPGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(2)16-9-7-15(8-10-16)6-5-11-20-19(22)17-18(14(3)4)23-12-21-17/h7-10,12-14H,5-6,11H2,1-4H3,(H,20,22).
What are the key properties of 5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide?
5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86963264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).