4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide

C19H19ClN2O3 — CID 100511008

IUPAC4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide
SMILESO=C(CCCc1nc2ccccc2o1)NCCOc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O3/c20-14-6-1-3-8-16(14)24-13-12-21-18(23)10-5-11-19-22-15-7-2-4-9-17(15)25-19/h1-4,6-9H,5,10-13H2,(H,21,23)
InChIKeyBBNNBZUPQFOKLV-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.00
Rot. Bonds8

About 4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide

4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide (PubChem CID 100511008) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide
PubChem CID100511008
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide
SMILESO=C(CCCc1nc2ccccc2o1)NCCOc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O3/c20-14-6-1-3-8-16(14)24-13-12-21-18(23)10-5-11-19-22-15-7-2-4-9-17(15)25-19/h1-4,6-9H,5,10-13H2,(H,21,23)
InChIKeyBBNNBZUPQFOKLV-UHFFFAOYSA-N
XLogP4.00
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.00
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

4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide
CID 39278562
4-(1,3-benzoxazol-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 100511083
3-(1,3-benzoxazol-2-yl)-N-[2-(3,4-dimethylphenoxy)ethyl]propanamide
CID 100510603
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110711850
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(methanesulfonamido)propanamide
CID 91838527
3-(1,3-benzoxazol-2-yl)-N-[(2,4-dichlorophenyl)methyl]propanamide
CID 9427574
amino 4-(1,3-benzoxazol-2-yl)butanoate
CID 174418719
4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide
CID 108573011
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 118761451
N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
CID 119499643

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide (CID 100511008) is 4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide is O=C(CCCc1nc2ccccc2o1)NCCOc1ccccc1Cl.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide?
The InChIKey is BBNNBZUPQFOKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-14-6-1-3-8-16(14)24-13-12-21-18(23)10-5-11-19-22-15-7-2-4-9-17(15)25-19/h1-4,6-9H,5,10-13H2,(H,21,23).
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide?
4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide has a molecular weight of 358.83 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N-[2-(2-chlorophenoxy)ethyl]butanamide is sourced from PubChem (CID 100511008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).