N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide

C8H12N2O4 — CID 65314948

IUPACN-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC(CO)CO)on1
InChIInChI=1S/C8H12N2O4/c1-5-2-7(14-10-5)8(13)9-6(3-11)4-12/h2,6,11-12H,3-4H2,1H3,(H,9,13)
InChIKeyYKRRUKXZNJUDLR-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.93
Rot. Bonds4

About N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide

N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 65314948) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID65314948
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC(CO)CO)on1
InChIInChI=1S/C8H12N2O4/c1-5-2-7(14-10-5)8(13)9-6(3-11)4-12/h2,6,11-12H,3-4H2,1H3,(H,9,13)
InChIKeyYKRRUKXZNJUDLR-UHFFFAOYSA-N
XLogP-0.93
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104981056
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
N-(1-chloro-4-methylpentan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 114300759
4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61242547
N-(4-chlorobutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 83188576
N-(1-iodo-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 107859861
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94114367
3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43209737
3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 51257536
3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 43209831
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 95556331
N-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119617392

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide (CID 65314948) is N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC(CO)CO)on1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is YKRRUKXZNJUDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-5-2-7(14-10-5)8(13)9-6(3-11)4-12/h2,6,11-12H,3-4H2,1H3,(H,9,13).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 200.19 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 65314948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).