5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide

C10H14N2O4 — CID 66157357

IUPAC5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC(C)C(C)=O)no1
InChIInChI=1S/C10H14N2O4/c1-6(7(2)13)11-10(14)9-4-8(5-15-3)16-12-9/h4,6H,5H2,1-3H3,(H,11,14)
InChIKeyFBZJKSOCQRIZRV-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.53
Rot. Bonds5

About 5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide

5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 66157357) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID66157357
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC(C)C(C)=O)no1
InChIInChI=1S/C10H14N2O4/c1-6(7(2)13)11-10(14)9-4-8(5-15-3)16-12-9/h4,6H,5H2,1-3H3,(H,11,14)
InChIKeyFBZJKSOCQRIZRV-UHFFFAOYSA-N
XLogP0.53
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
CID 66156389
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 77113433
N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 120505183
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66158499
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 66157136
N-(1-hydroxy-3-methoxypropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114079017
5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157356
4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66157132
5-(methoxymethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 66156376
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 99828961
4-amino-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-4-oxobutanoic acid
CID 66156724
2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid
CID 66156134

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide (CID 66157357) is 5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NC(C)C(C)=O)no1.
What is the InChIKey of 5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is FBZJKSOCQRIZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6(7(2)13)11-10(14)9-4-8(5-15-3)16-12-9/h4,6H,5H2,1-3H3,(H,11,14).
What are the key properties of 5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide?
5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 226.23 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66157357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).