N-(1,2-oxazol-5-ylmethyl)formamide

C5H6N2O2 — CID 87408226

IUPACN-(1,2-oxazol-5-ylmethyl)formamide
SMILESO=CNCc1ccno1
InChIInChI=1S/C5H6N2O2/c8-4-6-3-5-1-2-7-9-5/h1-2,4H,3H2,(H,6,8)
InChIKeyXOCYBGMEKHXKSP-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.08
Rot. Bonds3

About N-(1,2-oxazol-5-ylmethyl)formamide

N-(1,2-oxazol-5-ylmethyl)formamide (PubChem CID 87408226) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)formamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)formamide
PubChem CID87408226
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC NameN-(1,2-oxazol-5-ylmethyl)formamide
SMILESO=CNCc1ccno1
InChIInChI=1S/C5H6N2O2/c8-4-6-3-5-1-2-7-9-5/h1-2,4H,3H2,(H,6,8)
InChIKeyXOCYBGMEKHXKSP-UHFFFAOYSA-N
XLogP-0.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
1,2-oxazol-5-ylmethylhydrazine
CID 141044589
N-methyl-1-(1,2-oxazol-5-yl)methanamine
CID 23006271
2-(1,2-oxazol-5-ylmethylamino)acetic acid
CID 43466227
2-(1,2-oxazol-5-ylmethylamino)acetamide
CID 103605544
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine
CID 106415743
1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605027
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384
6-(1,2-oxazol-5-ylmethylamino)-6-oxohexanoic acid
CID 106414801
1-(1,2-oxazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 106414886
3,3,3-trifluoro-2-[(1,2-oxazol-5-ylmethylamino)methyl]propanoic acid
CID 106419760

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)formamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)formamide (CID 87408226) is N-(1,2-oxazol-5-ylmethyl)formamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)formamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)formamide is O=CNCc1ccno1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)formamide?
The InChIKey is XOCYBGMEKHXKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c8-4-6-3-5-1-2-7-9-5/h1-2,4H,3H2,(H,6,8).
What are the key properties of N-(1,2-oxazol-5-ylmethyl)formamide?
N-(1,2-oxazol-5-ylmethyl)formamide has a molecular weight of 126.11 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)formamide is sourced from PubChem (CID 87408226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).