N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C11H18N2O3 — CID 107318424

IUPACN-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCCCCO)o1
InChIInChI=1S/C11H18N2O3/c1-8-10(16-9(2)13-8)11(15)12-6-4-3-5-7-14/h14H,3-7H2,1-2H3,(H,12,15)
InChIKeyYSCHHHHHAUWNMU-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.18
Rot. Bonds6

About N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 107318424) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID107318424
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCCCCO)o1
InChIInChI=1S/C11H18N2O3/c1-8-10(16-9(2)13-8)11(15)12-6-4-3-5-7-14/h14H,3-7H2,1-2H3,(H,12,15)
InChIKeyYSCHHHHHAUWNMU-UHFFFAOYSA-N
XLogP1.18
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.18
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-[3-(2-hydroxyethoxy)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 113365344
4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 81364652
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
CID 79026371
ethyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
CID 79179747
N-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79880788
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684800
N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107231345
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684838
N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114313428
2,4-dimethyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684821
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 75393808

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 107318424) is N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCCCCO)o1.
What is the InChIKey of N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is YSCHHHHHAUWNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8-10(16-9(2)13-8)11(15)12-6-4-3-5-7-14/h14H,3-7H2,1-2H3,(H,12,15).
What are the key properties of N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 107318424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).