(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate

C19H25N3O4 — CID 30591403

IUPAC(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESCC(C)c1noc(COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C19H25N3O4/c1-12(2)17-21-15(26-22-17)11-25-16(23)10-20-18(24)13-6-8-14(9-7-13)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,24)
InChIKeyOHAMLZZKPAIXFR-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.96
Rot. Bonds6

About (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate (PubChem CID 30591403) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate
PubChem CID30591403
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESCC(C)c1noc(COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C19H25N3O4/c1-12(2)17-21-15(26-22-17)11-25-16(23)10-20-18(24)13-6-8-14(9-7-13)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,24)
InChIKeyOHAMLZZKPAIXFR-UHFFFAOYSA-N
XLogP2.96
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate?
The IUPAC name of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate (CID 30591403) is (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate.
What is the SMILES notation for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate?
The canonical SMILES for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate is CC(C)c1noc(COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate?
The InChIKey is OHAMLZZKPAIXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12(2)17-21-15(26-22-17)11-25-16(23)10-20-18(24)13-6-8-14(9-7-13)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,24).
What are the key properties of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate?
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate has a molecular weight of 359.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate is sourced from PubChem (CID 30591403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).