N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

C21H29N3O3 — CID 110630679

IUPACN-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCC(=O)NCCCNC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C
InChIInChI=1S/C21H29N3O3/c1-14-18(13-19(26)23-12-6-11-22-15(2)25)24-20(27-14)16-7-9-17(10-8-16)21(3,4)5/h7-10H,6,11-13H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyZOQMMOSNYDZBCW-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.13
Rot. Bonds7

About N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide

N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (PubChem CID 110630679) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
PubChem CID110630679
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
SMILESCC(=O)NCCCNC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C
InChIInChI=1S/C21H29N3O3/c1-14-18(13-19(26)23-12-6-11-22-15(2)25)24-20(27-14)16-7-9-17(10-8-16)21(3,4)5/h7-10H,6,11-13H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyZOQMMOSNYDZBCW-UHFFFAOYSA-N
XLogP3.13
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110417936
N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110417932
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]acetamide
CID 110415002
N-(4-methoxybutyl)-2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110610248
N-[3-(4-hydroxyphenyl)propyl]-2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110424249
2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide
CID 110629981
N-(3-aminobutyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119497322
N-butyl-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371856
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86776642
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 51336690
N-(cyclopentylmethyl)-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110627528

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide (CID 110630679) is N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is CC(=O)NCCCNC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C.
What is the InChIKey of N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
The InChIKey is ZOQMMOSNYDZBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-14-18(13-19(26)23-12-6-11-22-15(2)25)24-20(27-14)16-7-9-17(10-8-16)21(3,4)5/h7-10H,6,11-13H2,1-5H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide?
N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110630679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).