5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide

C14H16ClN3O4 — CID 56744162

IUPAC5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide
SMILESCCOCCNC(=O)c1cc(COc2cncc(Cl)c2)on1
InChIInChI=1S/C14H16ClN3O4/c1-2-20-4-3-17-14(19)13-6-12(22-18-13)9-21-11-5-10(15)7-16-8-11/h5-8H,2-4,9H2,1H3,(H,17,19)
InChIKeyVDNVFIIVMPDNOV-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.07
Rot. Bonds8

About 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide

5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide (PubChem CID 56744162) has the molecular formula C14H16ClN3O4 and a molecular weight of 325.75 g/mol. Its IUPAC name is 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide
PubChem CID56744162
Molecular FormulaC14H16ClN3O4
Molecular Weight325.75 g/mol
Exact Mass325.08
IUPAC Name5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide
SMILESCCOCCNC(=O)c1cc(COc2cncc(Cl)c2)on1
InChIInChI=1S/C14H16ClN3O4/c1-2-20-4-3-17-14(19)13-6-12(22-18-13)9-21-11-5-10(15)7-16-8-11/h5-8H,2-4,9H2,1H3,(H,17,19)
InChIKeyVDNVFIIVMPDNOV-UHFFFAOYSA-N
XLogP2.07
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 24819377
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(2-methylsulfanylethyl)-1,2-oxazole-3-carboxamide
CID 25381337
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 29149512
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 42520492
5-[[4-[(4-chlorobenzoyl)amino]phenoxy]methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 53110324
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 42394007
5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397630
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 42197389
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24791488
N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 119499822
N-[[5-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]ethanamine
CID 64601411
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide
CID 24817014

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide (CID 56744162) is 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide is CCOCCNC(=O)c1cc(COc2cncc(Cl)c2)on1.
What is the InChIKey of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VDNVFIIVMPDNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4/c1-2-20-4-3-17-14(19)13-6-12(22-18-13)9-21-11-5-10(15)7-16-8-11/h5-8H,2-4,9H2,1H3,(H,17,19).
What are the key properties of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide?
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 325.75 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56744162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).