[2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate

C22H23N5O5 — CID 11373985

IUPAC[2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate
SMILESCC(=O)Oc1cccnc1C(=O)Nc1ccc(NC(=O)Nc2cc(C(C)(C)C)on2)cc1
InChIInChI=1S/C22H23N5O5/c1-13(28)31-16-6-5-11-23-19(16)20(29)24-14-7-9-15(10-8-14)25-21(30)26-18-12-17(32-27-18)22(2,3)4/h5-12H,1-4H3,(H,24,29)(H2,25,26,27,30)
InChIKeyFKRJVLBPQAHVNB-UHFFFAOYSA-N
MW437.46 g/mol
LogP4.19
Rot. Bonds5

About [2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate

[2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate (PubChem CID 11373985) has the molecular formula C22H23N5O5 and a molecular weight of 437.46 g/mol. Its IUPAC name is [2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate.

Molecular Properties

Compound Name[2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate
PubChem CID11373985
Molecular FormulaC22H23N5O5
Molecular Weight437.46 g/mol
Exact Mass437.17
IUPAC Name[2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate
SMILESCC(=O)Oc1cccnc1C(=O)Nc1ccc(NC(=O)Nc2cc(C(C)(C)C)on2)cc1
InChIInChI=1S/C22H23N5O5/c1-13(28)31-16-6-5-11-23-19(16)20(29)24-14-7-9-15(10-8-14)25-21(30)26-18-12-17(32-27-18)22(2,3)4/h5-12H,1-4H3,(H,24,29)(H2,25,26,27,30)
InChIKeyFKRJVLBPQAHVNB-UHFFFAOYSA-N
XLogP4.19
TPSA135.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate?
The IUPAC name of [2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate (CID 11373985) is [2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate.
What is the SMILES notation for [2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate?
The canonical SMILES for [2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate is CC(=O)Oc1cccnc1C(=O)Nc1ccc(NC(=O)Nc2cc(C(C)(C)C)on2)cc1.
What is the InChIKey of [2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate?
The InChIKey is FKRJVLBPQAHVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5/c1-13(28)31-16-6-5-11-23-19(16)20(29)24-14-7-9-15(10-8-14)25-21(30)26-18-12-17(32-27-18)22(2,3)4/h5-12H,1-4H3,(H,24,29)(H2,25,26,27,30).
What are the key properties of [2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate?
[2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate has a molecular weight of 437.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl] acetate is sourced from PubChem (CID 11373985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).