N-[3-(dimethylamino)-3-methylpentan-2-yl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide

C14H25N3O3 — CID 145009091

IUPACN-[3-(dimethylamino)-3-methylpentan-2-yl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCCC(C)(C(C)NC(=O)c1noc(CO)c1C)N(C)C
InChIInChI=1S/C14H25N3O3/c1-7-14(4,17(5)6)10(3)15-13(19)12-9(2)11(8-18)20-16-12/h10,18H,7-8H2,1-6H3,(H,15,19)
InChIKeyZSVGMZZCGBWATG-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.32
Rot. Bonds6

About N-[3-(dimethylamino)-3-methylpentan-2-yl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide

N-[3-(dimethylamino)-3-methylpentan-2-yl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide (PubChem CID 145009091) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-methylpentan-2-yl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-methylpentan-2-yl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide
PubChem CID145009091
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-[3-(dimethylamino)-3-methylpentan-2-yl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCCC(C)(C(C)NC(=O)c1noc(CO)c1C)N(C)C
InChIInChI=1S/C14H25N3O3/c1-7-14(4,17(5)6)10(3)15-13(19)12-9(2)11(8-18)20-16-12/h10,18H,7-8H2,1-6H3,(H,15,19)
InChIKeyZSVGMZZCGBWATG-UHFFFAOYSA-N
XLogP1.32
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-4-methyl-N-(3-methyl-3-propyloctan-2-yl)-1,2-oxazole-3-carboxamide
CID 160612046
N-[3-(dimethylamino)propyl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 118698826
N-(3,3-dimethylhexan-2-yl)-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-(3,3-dimethylhexan-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 160653600
3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 110836475
N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110855367
2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 110836460
N-[3,3-dimethyl-4-(methylamino)butan-2-yl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide;N-[3,3-dimethyl-4-(methylamino)butan-2-yl]-5-ethyl-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-[ethyl(methyl)amino]-2,2-dimethylpropyl]-4-methyl-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-[ethyl(methyl)amino]-2,2-dimethylpropyl]-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-ethyl-3-(methylaminomethyl)pentan-2-yl]-4-methyl-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-ethyl-3-(methylaminomethyl)pentan-2-yl]-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-methyl-3-(methylaminomethyl)hexan-2-yl]-1,2-oxazole-3-carboxamide;5-ethyl-N-[3-methyl-3-(methylaminomethyl)pentan-2-yl]-1,2-oxazole-3-carboxamide;5-ethyl-4-methyl-N-[3-methyl-3-(methylaminomethyl)hexan-2-yl]-1,2-oxazole-3-carboxamide;5-ethyl-4-methyl-N-[3-methyl-3-(methylaminomethyl)pentan-2-yl]-1,2-oxazole-3-carboxamide
CID 158456902
N-[3-(ethylamino)-3-methylbutyl]-5-(iodomethyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 147930647
N-butan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5079297
N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride
CID 162689843
N-[3-ethyl-3-[[ethyl(phosphanyl)amino]methyl]pentan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 145009127
(3-bromo-4-methyl-1,2-oxazol-5-yl)methanol
CID 10899459

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-methylpentan-2-yl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-methylpentan-2-yl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide (CID 145009091) is N-[3-(dimethylamino)-3-methylpentan-2-yl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-methylpentan-2-yl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-methylpentan-2-yl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide is CCC(C)(C(C)NC(=O)c1noc(CO)c1C)N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-3-methylpentan-2-yl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZSVGMZZCGBWATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-7-14(4,17(5)6)10(3)15-13(19)12-9(2)11(8-18)20-16-12/h10,18H,7-8H2,1-6H3,(H,15,19).
What are the key properties of N-[3-(dimethylamino)-3-methylpentan-2-yl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide?
N-[3-(dimethylamino)-3-methylpentan-2-yl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-methylpentan-2-yl]-5-(hydroxymethyl)-4-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145009091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).