N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide

C8H12N2O3 — CID 83029629

IUPACN-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NC[C@H](C)O
InChIInChI=1S/C8H12N2O3/c1-5-3-10-13-7(5)8(12)9-4-6(2)11/h3,6,11H,4H2,1-2H3,(H,9,12)/t6-/m0/s1
InChIKeyPTVYCQVDFLYUCQ-LURJTMIESA-N
MW184.19 g/mol
LogP0.09
Rot. Bonds3

About N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide

N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 83029629) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID83029629
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NC[C@H](C)O
InChIInChI=1S/C8H12N2O3/c1-5-3-10-13-7(5)8(12)9-4-6(2)11/h3,6,11H,4H2,1-2H3,(H,9,12)/t6-/m0/s1
InChIKeyPTVYCQVDFLYUCQ-LURJTMIESA-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

N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 115668320
N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 113248507
(2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 107834816
methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate
CID 66336334
3-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 66334474
N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335116
1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449811
N-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335559
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-[(2-bromophenyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66334349
N-[(2S)-1-hydroxybutan-2-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 104981094
4-methyl-N-[(4-sulfamoylphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 66335292

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide (CID 83029629) is N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)NC[C@H](C)O.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is PTVYCQVDFLYUCQ-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-3-10-13-7(5)8(12)9-4-6(2)11/h3,6,11H,4H2,1-2H3,(H,9,12)/t6-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide?
N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-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-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 83029629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).