N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide

C13H22N2O3 — CID 111697544

IUPACN-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCC(CCO)CC(C)C
InChIInChI=1S/C13H22N2O3/c1-9(2)6-11(4-5-16)7-14-13(17)12-10(3)18-8-15-12/h8-9,11,16H,4-7H2,1-3H3,(H,14,17)
InChIKeyMAGXIVCMCGPNMC-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.76
Rot. Bonds7

About N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 111697544) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID111697544
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCC(CCO)CC(C)C
InChIInChI=1S/C13H22N2O3/c1-9(2)6-11(4-5-16)7-14-13(17)12-10(3)18-8-15-12/h8-9,11,16H,4-7H2,1-3H3,(H,14,17)
InChIKeyMAGXIVCMCGPNMC-UHFFFAOYSA-N
XLogP1.76
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662598
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 111662589
N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 119587854
2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662482
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-5-methylsulfanylbenzamide
CID 111662633
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 111662479
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111697438
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 109381177
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
CID 111503800
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
CID 111662419
N-[2-(2-hydroxyethyl)-4-methylpentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111697434

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 111697544) is N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NCC(CCO)CC(C)C.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is MAGXIVCMCGPNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)6-11(4-5-16)7-14-13(17)12-10(3)18-8-15-12/h8-9,11,16H,4-7H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 111697544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).