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

C18H17ClN2O4 — CID 134006814

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(C(=O)NCCOc1ccc(Cl)cc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C18H17ClN2O4/c1-12(21-15-4-2-3-5-16(15)25-18(21)23)17(22)20-10-11-24-14-8-6-13(19)7-9-14/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyNYWJFQKUHDXMPP-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.00
Rot. Bonds6

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

N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 134006814) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID134006814
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(C(=O)NCCOc1ccc(Cl)cc1)n1c(=O)oc2ccccc21
InChIInChI=1S/C18H17ClN2O4/c1-12(21-15-4-2-3-5-16(15)25-18(21)23)17(22)20-10-11-24-14-8-6-13(19)7-9-14/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyNYWJFQKUHDXMPP-UHFFFAOYSA-N
XLogP3.00
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[3-(3-methylphenoxy)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 35888292
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(1S)-1-phenylethoxy]propyl]propanamide
CID 51649204
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 95165771
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42934146
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119063791
(2S)-2-(benzimidazol-1-yl)-N-[4-(4-chlorophenoxy)butyl]propanamide
CID 51729342
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611150
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 134036586
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide
CID 126444906
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55746512
N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886763

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 134006814) is N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CC(C(=O)NCCOc1ccc(Cl)cc1)n1c(=O)oc2ccccc21.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is NYWJFQKUHDXMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-12(21-15-4-2-3-5-16(15)25-18(21)23)17(22)20-10-11-24-14-8-6-13(19)7-9-14/h2-9,12H,10-11H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 360.80 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 134006814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).