N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide

C21H37N3O3 — CID 5168710

IUPACN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide
SMILESCCCCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C(C)C
InChIInChI=1S/C21H37N3O3/c1-5-6-7-8-9-10-11-12-13-14-21(26)24(17(2)3)16-20(25)22-19-15-18(4)27-23-19/h15,17H,5-14,16H2,1-4H3,(H,22,23,25)
InChIKeyXAOZBQHFCQMGBK-UHFFFAOYSA-N
MW379.55 g/mol
LogP5.08
Rot. Bonds14

About N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide (PubChem CID 5168710) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide
PubChem CID5168710
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC NameN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide
SMILESCCCCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C(C)C
InChIInChI=1S/C21H37N3O3/c1-5-6-7-8-9-10-11-12-13-14-21(26)24(17(2)3)16-20(25)22-19-15-18(4)27-23-19/h15,17H,5-14,16H2,1-4H3,(H,22,23,25)
InChIKeyXAOZBQHFCQMGBK-UHFFFAOYSA-N
XLogP5.08
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 4997300
N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]heptanamide
CID 5097311
N-[5-(diethylamino)pentan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]octanamide
CID 5168715
N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 5121720
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide
CID 42769111
diethyl-[(4S)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-pentanoylamino]pentyl]azanium
CID 7331089
N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]decanamide
CID 42664092
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 4169989
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylhexanamide
CID 4616355
2-[dimethylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4547465
2-[hexyl(methylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3404528
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-pentylpropanamide
CID 24715041

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide?
The IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide (CID 5168710) is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide.
What is the SMILES notation for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide?
The canonical SMILES for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide is CCCCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C(C)C.
What is the InChIKey of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide?
The InChIKey is XAOZBQHFCQMGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O3/c1-5-6-7-8-9-10-11-12-13-14-21(26)24(17(2)3)16-20(25)22-19-15-18(4)27-23-19/h15,17H,5-14,16H2,1-4H3,(H,22,23,25).
What are the key properties of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide?
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide has a molecular weight of 379.55 g/mol, XLogP of 5.08, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-yldodecanamide is sourced from PubChem (CID 5168710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).