N-chloro-5-methyl-1,2-oxazole-3-carboxamide

C5H5ClN2O2 — CID 45099208

IUPACN-chloro-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCl)no1
InChIInChI=1S/C5H5ClN2O2/c1-3-2-4(8-10-3)5(9)7-6/h2H,1H3,(H,7,9)
InChIKeyUUCCHTZJYRBGBP-UHFFFAOYSA-N
MW160.56 g/mol
LogP0.87
Rot. Bonds1

About N-chloro-5-methyl-1,2-oxazole-3-carboxamide

N-chloro-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 45099208) has the molecular formula C5H5ClN2O2 and a molecular weight of 160.56 g/mol. Its IUPAC name is N-chloro-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-chloro-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID45099208
Molecular FormulaC5H5ClN2O2
Molecular Weight160.56 g/mol
Exact Mass160.00
IUPAC NameN-chloro-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCl)no1
InChIInChI=1S/C5H5ClN2O2/c1-3-2-4(8-10-3)5(9)7-6/h2H,1H3,(H,7,9)
InChIKeyUUCCHTZJYRBGBP-UHFFFAOYSA-N
XLogP0.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-chloro-5-methyl-1,2-oxazole-3-carboxamide (CID 45099208) is N-chloro-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-chloro-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-chloro-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCl)no1.
What is the InChIKey of N-chloro-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is UUCCHTZJYRBGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2/c1-3-2-4(8-10-3)5(9)7-6/h2H,1H3,(H,7,9).
What are the key properties of N-chloro-5-methyl-1,2-oxazole-3-carboxamide?
N-chloro-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 160.56 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45099208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).