N-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide

C15H27N3O3 — CID 145008946

IUPACN-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CC)C(C)(C)C(C)(C)NC(=O)c1cc(CO)on1
InChIInChI=1S/C15H27N3O3/c1-7-18(8-2)15(5,6)14(3,4)16-13(20)12-9-11(10-19)21-17-12/h9,19H,7-8,10H2,1-6H3,(H,16,20)
InChIKeyHICPBLBPQYHTAV-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.80
Rot. Bonds7

About N-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide

N-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 145008946) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID145008946
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CC)C(C)(C)C(C)(C)NC(=O)c1cc(CO)on1
InChIInChI=1S/C15H27N3O3/c1-7-18(8-2)15(5,6)14(3,4)16-13(20)12-9-11(10-19)21-17-12/h9,19H,7-8,10H2,1-6H3,(H,16,20)
InChIKeyHICPBLBPQYHTAV-UHFFFAOYSA-N
XLogP1.80
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-ethyl-2-[ethyl(methyl)amino]butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145008819
N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698825
3-[(5-ethyl-1,2-oxazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 110836534
N-[2-ethyl-2-(phosphanylamino)butyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145009032
N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145009127
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 103890936
5-(hydroxymethyl)-N-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 3073011
N-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114153145
N-[3-(butylamino)-2,2-dimethylbutyl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 118698819
5-[[benzyl(methyl)amino]methyl]-N-(2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 56759676
N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 81486962
5-[[butan-2-yl(ethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63572716

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide (CID 145008946) is N-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide is CCN(CC)C(C)(C)C(C)(C)NC(=O)c1cc(CO)on1.
What is the InChIKey of N-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HICPBLBPQYHTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-7-18(8-2)15(5,6)14(3,4)16-13(20)12-9-11(10-19)21-17-12/h9,19H,7-8,10H2,1-6H3,(H,16,20).
What are the key properties of N-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide?
N-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)-2,3-dimethylbutan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145008946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).