2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide

C14H25N3O3 — CID 3868124

IUPAC2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCNC(=O)c1coc(C(N)C(C)O)n1
InChIInChI=1S/C14H25N3O3/c1-3-4-5-6-7-8-16-13(19)11-9-20-14(17-11)12(15)10(2)18/h9-10,12,18H,3-8,15H2,1-2H3,(H,16,19)
InChIKeyFZGHUEWEXBTZKG-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.76
Rot. Bonds9

About 2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide

2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide (PubChem CID 3868124) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide
PubChem CID3868124
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCNC(=O)c1coc(C(N)C(C)O)n1
InChIInChI=1S/C14H25N3O3/c1-3-4-5-6-7-8-16-13(19)11-9-20-14(17-11)12(15)10(2)18/h9-10,12,18H,3-8,15H2,1-2H3,(H,16,19)
InChIKeyFZGHUEWEXBTZKG-UHFFFAOYSA-N
XLogP1.76
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-amino-2-hydroxypropyl)-N-dodecyl-1,3-oxazole-4-carboxamide
CID 3868123
2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3866894
2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide
CID 3824160
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
2-(1-amino-3-methylbutyl)-N-decyl-1,3-oxazole-4-carboxamide
CID 3866536
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide
CID 3844290
2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
CID 3865890
2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
CID 5017733
2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 3829164
2-(1-amino-2-hydroxypropyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3308744
2-(1-amino-2-methylbutyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3847133

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide (CID 3868124) is 2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide is CCCCCCCNC(=O)c1coc(C(N)C(C)O)n1.
What is the InChIKey of 2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide?
The InChIKey is FZGHUEWEXBTZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-4-5-6-7-8-16-13(19)11-9-20-14(17-11)12(15)10(2)18/h9-10,12,18H,3-8,15H2,1-2H3,(H,16,19).
What are the key properties of 2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide?
2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 1.76, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3868124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).