2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide

C11H11ClN2O3 — CID 100786779

IUPAC2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2oc(Cl)nc2c1
InChIInChI=1S/C11H11ClN2O3/c1-16-5-4-13-10(15)7-2-3-9-8(6-7)14-11(12)17-9/h2-3,6H,4-5H2,1H3,(H,13,15)
InChIKeyIRYHQODCEQQTBV-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.86
Rot. Bonds4

About 2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide

2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 100786779) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide
PubChem CID100786779
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2oc(Cl)nc2c1
InChIInChI=1S/C11H11ClN2O3/c1-16-5-4-13-10(15)7-2-3-9-8(6-7)14-11(12)17-9/h2-3,6H,4-5H2,1H3,(H,13,15)
InChIKeyIRYHQODCEQQTBV-UHFFFAOYSA-N
XLogP1.86
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-1,3-benzoxazol-5-yl)-2-methoxyethanone
CID 166871952
2-chloro-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787102
N-(2-methoxyethyl)-2-(6-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide
CID 134799855
2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide
CID 100786873
2-chloro-N-[3-(3-methylanilino)-3-oxopropyl]-1,3-benzoxazole-5-carboxamide
CID 100787478
2-chloro-N-(furan-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100786930
2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 100787891
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-1,3-benzoxazole-5-carboxamide
CID 100786908
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
2-chloro-5-(2-methoxyethyl)-1,3-benzoxazole
CID 62369370
methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate
CID 66912251
N-(3-methoxypropyl)-2-pyridin-3-yl-1,3-benzoxazole-5-carboxamide
CID 134797621

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide (CID 100786779) is 2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide is COCCNC(=O)c1ccc2oc(Cl)nc2c1.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is IRYHQODCEQQTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-16-5-4-13-10(15)7-2-3-9-8(6-7)14-11(12)17-9/h2-3,6H,4-5H2,1H3,(H,13,15).
What are the key properties of 2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide?
2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 254.67 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 100786779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).