5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide

C15H26N2O3 — CID 111697387

IUPAC5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cc(C(C)(C)C)on1
InChIInChI=1S/C15H26N2O3/c1-5-6-11(7-8-18)10-16-14(19)12-9-13(20-17-12)15(2,3)4/h9,11,18H,5-8,10H2,1-4H3,(H,16,19)
InChIKeyZXDGMNKTALLAHV-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.50
Rot. Bonds7

About 5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide

5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide (PubChem CID 111697387) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide
PubChem CID111697387
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cc(C(C)(C)C)on1
InChIInChI=1S/C15H26N2O3/c1-5-6-11(7-8-18)10-16-14(19)12-9-13(20-17-12)15(2,3)4/h9,11,18H,5-8,10H2,1-4H3,(H,16,19)
InChIKeyZXDGMNKTALLAHV-UHFFFAOYSA-N
XLogP2.50
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 111662305
N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 103722645
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
3-ethyl-N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 103820655
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid
CID 119198963
2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 106114985
5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 111477679
1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one
CID 157374437
2-(ethylamino)-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 114145534
N-[2-(2-hydroxyethyl)pentyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 103725725
2,5-dichloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103725481

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide (CID 111697387) is 5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide is CCCC(CCO)CNC(=O)c1cc(C(C)(C)C)on1.
What is the InChIKey of 5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZXDGMNKTALLAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-6-11(7-8-18)10-16-14(19)12-9-13(20-17-12)15(2,3)4/h9,11,18H,5-8,10H2,1-4H3,(H,16,19).
What are the key properties of 5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide?
5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 111697387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).