N-(2-chloroprop-2-enyl)-1,3-oxazole-5-carboxamide

C7H7ClN2O2 — CID 130719852

IUPACN-(2-chloroprop-2-enyl)-1,3-oxazole-5-carboxamide
SMILESC=C(Cl)CNC(=O)c1cnco1
InChIInChI=1S/C7H7ClN2O2/c1-5(8)2-10-7(11)6-3-9-4-12-6/h3-4H,1-2H2,(H,10,11)
InChIKeyYETNWYJNMMYBQI-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.16
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-1,3-oxazole-5-carboxamide

N-(2-chloroprop-2-enyl)-1,3-oxazole-5-carboxamide (PubChem CID 130719852) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1,3-oxazole-5-carboxamide
PubChem CID130719852
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC NameN-(2-chloroprop-2-enyl)-1,3-oxazole-5-carboxamide
SMILESC=C(Cl)CNC(=O)c1cnco1
InChIInChI=1S/C7H7ClN2O2/c1-5(8)2-10-7(11)6-3-9-4-12-6/h3-4H,1-2H2,(H,10,11)
InChIKeyYETNWYJNMMYBQI-UHFFFAOYSA-N
XLogP1.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Oxazole-5-carboxamide
CID 22318809
2-(Fluoromethyl)-1,3-oxazole-5-carboxamide
CID 139330366
N-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 154073475
N-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole-5-carboxamide
CID 127000366
N-(2-bromo-2,2-difluoroethyl)-1,3-oxazole-5-carboxamide
CID 130616438
N-(2-fluoroethyl)-1,3-oxazole-5-carboxamide
CID 130626728
(3,3-Difluoroazetidin-1-yl)-(1,3-oxazol-5-yl)methanone
CID 130649683
N-(2,2-difluoroethyl)-1,3-oxazole-5-carboxamide
CID 130666663
2-chloro-2-fluoro-N-(1,3-oxazol-5-ylmethyl)acetamide
CID 167975572
2-ethyl-N-[2-(methylamino)ethyl]-1,3-oxazole-5-carboxamide
CID 21050599
N-methyl-1,3-oxazole-5-carboxamide
CID 23525717
1,3-Oxazole-5-carbohydrazide
CID 53277862

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-1,3-oxazole-5-carboxamide (CID 130719852) is N-(2-chloroprop-2-enyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1,3-oxazole-5-carboxamide is C=C(Cl)CNC(=O)c1cnco1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1,3-oxazole-5-carboxamide?
The InChIKey is YETNWYJNMMYBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-5(8)2-10-7(11)6-3-9-4-12-6/h3-4H,1-2H2,(H,10,11).
What are the key properties of N-(2-chloroprop-2-enyl)-1,3-oxazole-5-carboxamide?
N-(2-chloroprop-2-enyl)-1,3-oxazole-5-carboxamide has a molecular weight of 186.60 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 130719852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).