N-[[3-[ethoxy(hydroxy)methyl]-1,2-oxazole-5-carbonyl]amino]formamide

C8H11N3O5 — CID 146230122

IUPACN-[[3-[ethoxy(hydroxy)methyl]-1,2-oxazole-5-carbonyl]amino]formamide
SMILESCCOC(O)c1cc(C(=O)NNC=O)on1
InChIInChI=1S/C8H11N3O5/c1-2-15-8(14)5-3-6(16-11-5)7(13)10-9-4-12/h3-4,8,14H,2H2,1H3,(H,9,12)(H,10,13)
InChIKeyRTPMCUXQISASTO-UHFFFAOYSA-N
MW229.19 g/mol
LogP-0.91
Rot. Bonds6

About N-[[3-[ethoxy(hydroxy)methyl]-1,2-oxazole-5-carbonyl]amino]formamide

N-[[3-[ethoxy(hydroxy)methyl]-1,2-oxazole-5-carbonyl]amino]formamide (PubChem CID 146230122) has the molecular formula C8H11N3O5 and a molecular weight of 229.19 g/mol. Its IUPAC name is N-[[3-[ethoxy(hydroxy)methyl]-1,2-oxazole-5-carbonyl]amino]formamide.

Molecular Properties

Compound NameN-[[3-[ethoxy(hydroxy)methyl]-1,2-oxazole-5-carbonyl]amino]formamide
PubChem CID146230122
Molecular FormulaC8H11N3O5
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC NameN-[[3-[ethoxy(hydroxy)methyl]-1,2-oxazole-5-carbonyl]amino]formamide
SMILESCCOC(O)c1cc(C(=O)NNC=O)on1
InChIInChI=1S/C8H11N3O5/c1-2-15-8(14)5-3-6(16-11-5)7(13)10-9-4-12/h3-4,8,14H,2H2,1H3,(H,9,12)(H,10,13)
InChIKeyRTPMCUXQISASTO-UHFFFAOYSA-N
XLogP-0.91
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[ethoxy(hydroxy)methyl]-1,2-oxazole-5-carbonyl]amino]formamide?
The IUPAC name of N-[[3-[ethoxy(hydroxy)methyl]-1,2-oxazole-5-carbonyl]amino]formamide (CID 146230122) is N-[[3-[ethoxy(hydroxy)methyl]-1,2-oxazole-5-carbonyl]amino]formamide.
What is the SMILES notation for N-[[3-[ethoxy(hydroxy)methyl]-1,2-oxazole-5-carbonyl]amino]formamide?
The canonical SMILES for N-[[3-[ethoxy(hydroxy)methyl]-1,2-oxazole-5-carbonyl]amino]formamide is CCOC(O)c1cc(C(=O)NNC=O)on1.
What is the InChIKey of N-[[3-[ethoxy(hydroxy)methyl]-1,2-oxazole-5-carbonyl]amino]formamide?
The InChIKey is RTPMCUXQISASTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5/c1-2-15-8(14)5-3-6(16-11-5)7(13)10-9-4-12/h3-4,8,14H,2H2,1H3,(H,9,12)(H,10,13).
What are the key properties of N-[[3-[ethoxy(hydroxy)methyl]-1,2-oxazole-5-carbonyl]amino]formamide?
N-[[3-[ethoxy(hydroxy)methyl]-1,2-oxazole-5-carbonyl]amino]formamide has a molecular weight of 229.19 g/mol, XLogP of -0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[ethoxy(hydroxy)methyl]-1,2-oxazole-5-carbonyl]amino]formamide is sourced from PubChem (CID 146230122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).