N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide

C10H15ClN2O3 — CID 106306919

IUPACN-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCOCCCl)no1
InChIInChI=1S/C10H15ClN2O3/c1-8-7-9(13-16-8)10(14)12-4-2-5-15-6-3-11/h7H,2-6H2,1H3,(H,12,14)
InChIKeyNFAWVYKDLWRDBL-UHFFFAOYSA-N
MW246.69 g/mol
LogP1.36
Rot. Bonds7

About N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 106306919) has the molecular formula C10H15ClN2O3 and a molecular weight of 246.69 g/mol. Its IUPAC name is N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID106306919
Molecular FormulaC10H15ClN2O3
Molecular Weight246.69 g/mol
Exact Mass246.08
IUPAC NameN-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCOCCCl)no1
InChIInChI=1S/C10H15ClN2O3/c1-8-7-9(13-16-8)10(14)12-4-2-5-15-6-3-11/h7H,2-6H2,1H3,(H,12,14)
InChIKeyNFAWVYKDLWRDBL-UHFFFAOYSA-N
XLogP1.36
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide
CID 106306849
N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 143192635
N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 21297353
N-[2-(4-aminophenoxy)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 63237844
N-(4-chloro-2,2-dimethylbutyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 106143121
N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide
CID 114171364
3-bromo-N-[3-(2-chloroethoxy)propyl]-5-methylbenzamide
CID 114171378
N-[3-(2-chloroethoxy)propyl]-1,3-dimethylpyrazole-4-carboxamide
CID 106306554
N-[3-(2-chloroethoxy)propyl]-4-fluoro-2-methylbenzamide
CID 114171292
N-(2-chloroprop-2-enyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 115636549
N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113271445
N-[3-(2-chloroethoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106306680

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 106306919) is N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCCOCCCl)no1.
What is the InChIKey of N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is NFAWVYKDLWRDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3/c1-8-7-9(13-16-8)10(14)12-4-2-5-15-6-3-11/h7H,2-6H2,1H3,(H,12,14).
What are the key properties of N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 246.69 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 106306919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).