N-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide

C21H38N2O3 — CID 23042770

IUPACN-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide
SMILESCCCCCCCCCCCCCCc1onc(NC(=O)CCC)c1O
InChIInChI=1S/C21H38N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18-20(25)21(23-26-18)22-19(24)16-4-2/h25H,3-17H2,1-2H3,(H,22,23,24)
InChIKeyPDVPEKWHIGMUQI-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.36
Rot. Bonds16

About N-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide

N-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide (PubChem CID 23042770) has the molecular formula C21H38N2O3 and a molecular weight of 366.55 g/mol. Its IUPAC name is N-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide
PubChem CID23042770
Molecular FormulaC21H38N2O3
Molecular Weight366.55 g/mol
Exact Mass366.29
IUPAC NameN-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide
SMILESCCCCCCCCCCCCCCc1onc(NC(=O)CCC)c1O
InChIInChI=1S/C21H38N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18-20(25)21(23-26-18)22-19(24)16-4-2/h25H,3-17H2,1-2H3,(H,22,23,24)
InChIKeyPDVPEKWHIGMUQI-UHFFFAOYSA-N
XLogP6.36
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.36
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-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide
CID 170582724
N-[4,6-bis(hexanoylamino)-1,3,5-triazin-2-yl]hexanamide
CID 14619504
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
1-(4-nitro-5-octyl-1,2-oxazol-3-yl)nonan-1-one
CID 21394862
N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide
CID 101166742
N-(5-undecyl-1,2,4-oxadiazol-3-yl)acetamide
CID 101166747
N-(4-decoxyphenyl)butanamide
CID 143303175
N-(1-ethyl-6-hexyl-4-oxotriazin-5-yl)butanamide
CID 141284674
N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide
CID 19788212
N-(4-amino-5-methyl-1H-pyrazol-3-yl)heptanamide
CID 114752029
N-(4-heptylphenyl)heptanamide
CID 101077737
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of N-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide (CID 23042770) is N-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for N-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for N-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide is CCCCCCCCCCCCCCc1onc(NC(=O)CCC)c1O.
What is the InChIKey of N-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is PDVPEKWHIGMUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-18-20(25)21(23-26-18)22-19(24)16-4-2/h25H,3-17H2,1-2H3,(H,22,23,24).
What are the key properties of N-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide?
N-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 366.55 g/mol, XLogP of 6.36, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 23042770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).