N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

C8H12N2O3 — CID 43501123

IUPACN-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC(C)CO
InChIInChI=1S/C8H12N2O3/c1-5(4-11)10-8(12)7-3-9-13-6(7)2/h3,5,11H,4H2,1-2H3,(H,10,12)
InChIKeyVOYQHOBWCRPHRY-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.09
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 43501123) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID43501123
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC(C)CO
InChIInChI=1S/C8H12N2O3/c1-5(4-11)10-8(12)7-3-9-13-6(7)2/h3,5,11H,4H2,1-2H3,(H,10,12)
InChIKeyVOYQHOBWCRPHRY-UHFFFAOYSA-N
XLogP0.09
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 1477707
(2R)-4-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 30053503
N-(1-chlorobutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 114294294
N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 43419111
N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 850733
2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 62675825
N-(4-bromo-1-methoxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 106155964
(2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid
CID 114006151
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid
CID 65492048
5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 82786221
N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 43501123) is N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NC(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is VOYQHOBWCRPHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5(4-11)10-8(12)7-3-9-13-6(7)2/h3,5,11H,4H2,1-2H3,(H,10,12).
What are the key properties of N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 184.19 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 43501123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).