(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate

C17H19ClN2O4 — CID 4298165

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate
SMILESCc1noc(C)c1COC(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O4/c1-11-15(12(2)24-20-11)10-23-16(21)4-3-9-19-17(22)13-5-7-14(18)8-6-13/h5-8H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyJDYRHSFAQDBSMB-UHFFFAOYSA-N
MW350.80 g/mol
LogP3.20
Rot. Bonds7

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate (PubChem CID 4298165) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate
PubChem CID4298165
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate
SMILESCc1noc(C)c1COC(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O4/c1-11-15(12(2)24-20-11)10-23-16(21)4-3-9-19-17(22)13-5-7-14(18)8-6-13/h5-8H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyJDYRHSFAQDBSMB-UHFFFAOYSA-N
XLogP3.20
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.20
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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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate (CID 4298165) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate is Cc1noc(C)c1COC(=O)CCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate?
The InChIKey is JDYRHSFAQDBSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-11-15(12(2)24-20-11)10-23-16(21)4-3-9-19-17(22)13-5-7-14(18)8-6-13/h5-8H,3-4,9-10H2,1-2H3,(H,19,22).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate has a molecular weight of 350.80 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-[(4-chlorobenzoyl)amino]butanoate is sourced from PubChem (CID 4298165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).