3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide

C10H15N3O3 — CID 51257536

IUPAC3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NC(C)C)on1
InChIInChI=1S/C10H15N3O3/c1-6(2)12-9(14)5-11-10(15)8-4-7(3)13-16-8/h4,6H,5H2,1-3H3,(H,11,15)(H,12,14)
InChIKeyTZOSYXNXVAACRN-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.24
Rot. Bonds4

About 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 51257536) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID51257536
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NC(C)C)on1
InChIInChI=1S/C10H15N3O3/c1-6(2)12-9(14)5-11-10(15)8-4-7(3)13-16-8/h4,6H,5H2,1-3H3,(H,11,15)(H,12,14)
InChIKeyTZOSYXNXVAACRN-UHFFFAOYSA-N
XLogP0.24
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-5-carboxamide
CID 114618847
N-(2-cyanopropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 62651855
N-(4-chloropentyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 106130200
N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 65314948
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
N-(4-chlorobutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 83188576
3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445
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-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 106910483
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94197268
N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 130266249

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide (CID 51257536) is 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCC(=O)NC(C)C)on1.
What is the InChIKey of 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is TZOSYXNXVAACRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)12-9(14)5-11-10(15)8-4-7(3)13-16-8/h4,6H,5H2,1-3H3,(H,11,15)(H,12,14).
What are the key properties of 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 225.25 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51257536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).