N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide

C8H12N2O3 — CID 83030687

IUPACN-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](C)O)no1
InChIInChI=1S/C8H12N2O3/c1-5(11)4-9-8(12)7-3-6(2)13-10-7/h3,5,11H,4H2,1-2H3,(H,9,12)/t5-/m1/s1
InChIKeyBDTYITVFGZKLTQ-RXMQYKEDSA-N
MW184.19 g/mol
LogP0.09
Rot. Bonds3

About N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 83030687) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID83030687
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](C)O)no1
InChIInChI=1S/C8H12N2O3/c1-5(11)4-9-8(12)7-3-6(2)13-10-7/h3,5,11H,4H2,1-2H3,(H,9,12)/t5-/m1/s1
InChIKeyBDTYITVFGZKLTQ-RXMQYKEDSA-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-[(2S)-2-methyl-3-(methylamino)propyl]-1,2-oxazole-3-carboxamide
CID 97325190
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 110279895
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120654528
5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide
CID 59224444
methyl 2-bromo-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 103492671
N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 90498743
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 111662305
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119526650
N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113271445
N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 60668189
N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 6930395

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 83030687) is N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC[C@@H](C)O)no1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is BDTYITVFGZKLTQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5(11)4-9-8(12)7-3-6(2)13-10-7/h3,5,11H,4H2,1-2H3,(H,9,12)/t5-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-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-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 83030687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).