N-(2H-1,3-oxazol-3-ylmethyl)formamide

C5H8N2O2 — CID 23498752

IUPACN-(2H-1,3-oxazol-3-ylmethyl)formamide
SMILESO=CNCN1C=COC1
InChIInChI=1S/C5H8N2O2/c8-4-6-3-7-1-2-9-5-7/h1-2,4H,3,5H2,(H,6,8)
InChIKeyXNEMPZQYUBFADW-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.55
Rot. Bonds3

About N-(2H-1,3-oxazol-3-ylmethyl)formamide

N-(2H-1,3-oxazol-3-ylmethyl)formamide (PubChem CID 23498752) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is N-(2H-1,3-oxazol-3-ylmethyl)formamide.

Molecular Properties

Compound NameN-(2H-1,3-oxazol-3-ylmethyl)formamide
PubChem CID23498752
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC NameN-(2H-1,3-oxazol-3-ylmethyl)formamide
SMILESO=CNCN1C=COC1
InChIInChI=1S/C5H8N2O2/c8-4-6-3-7-1-2-9-5-7/h1-2,4H,3,5H2,(H,6,8)
InChIKeyXNEMPZQYUBFADW-UHFFFAOYSA-N
XLogP-0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2H-1,3-oxazol-3-ylmethyl)formamide?
The IUPAC name of N-(2H-1,3-oxazol-3-ylmethyl)formamide (CID 23498752) is N-(2H-1,3-oxazol-3-ylmethyl)formamide.
What is the SMILES notation for N-(2H-1,3-oxazol-3-ylmethyl)formamide?
The canonical SMILES for N-(2H-1,3-oxazol-3-ylmethyl)formamide is O=CNCN1C=COC1.
What is the InChIKey of N-(2H-1,3-oxazol-3-ylmethyl)formamide?
The InChIKey is XNEMPZQYUBFADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c8-4-6-3-7-1-2-9-5-7/h1-2,4H,3,5H2,(H,6,8).
What are the key properties of N-(2H-1,3-oxazol-3-ylmethyl)formamide?
N-(2H-1,3-oxazol-3-ylmethyl)formamide has a molecular weight of 128.13 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-1,3-oxazol-3-ylmethyl)formamide is sourced from PubChem (CID 23498752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).