N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

C8H11ClN2O2 — CID 66156018

IUPACN-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCCl)no1
InChIInChI=1S/C8H11ClN2O2/c1-6-5-7(10-13-6)8(12)11(2)4-3-9/h5H,3-4H2,1-2H3
InChIKeyVSPVHCQFQJLMKT-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.29
Rot. Bonds3

About N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 66156018) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID66156018
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC NameN-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCCl)no1
InChIInChI=1S/C8H11ClN2O2/c1-6-5-7(10-13-6)8(12)11(2)4-3-9/h5H,3-4H2,1-2H3
InChIKeyVSPVHCQFQJLMKT-UHFFFAOYSA-N
XLogP1.29
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloropentyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 107205827
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 20586201
N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 106441445
N-ethyl-N,5-dimethyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 130615848
N-(2-amino-2-hydroxyiminoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 77113560
N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 45099367
N-(2-bromoethyl)-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
CID 80660169
5-methyl-N,N-bis(prop-2-enyl)-1,2-oxazole-3-carboxamide
CID 25237561
N-cyclopropyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 43577020
N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 51298851
N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 106143121
3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369205

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 66156018) is N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(C)CCCl)no1.
What is the InChIKey of N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is VSPVHCQFQJLMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-6-5-7(10-13-6)8(12)11(2)4-3-9/h5H,3-4H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 202.64 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66156018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).