N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide

C27H28N6O6 — CID 59381057

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
SMILESCOc1cc(OC)nc(Oc2ccccc2C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)n1
InChIInChI=1S/C27H28N6O6/c1-27(2,3)20-14-21(33-39-20)30-25(35)29-17-12-10-16(11-13-17)28-24(34)18-8-6-7-9-19(18)38-26-31-22(36-4)15-23(32-26)37-5/h6-15H,1-5H3,(H,28,34)(H2,29,30,33,35)
InChIKeySVHAGKRZLZKDOS-UHFFFAOYSA-N
MW532.56 g/mol
LogP5.47
Rot. Bonds8

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide (PubChem CID 59381057) has the molecular formula C27H28N6O6 and a molecular weight of 532.56 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
PubChem CID59381057
Molecular FormulaC27H28N6O6
Molecular Weight532.56 g/mol
Exact Mass532.21
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
SMILESCOc1cc(OC)nc(Oc2ccccc2C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)n1
InChIInChI=1S/C27H28N6O6/c1-27(2,3)20-14-21(33-39-20)30-25(35)29-17-12-10-16(11-13-17)28-24(34)18-8-6-7-9-19(18)38-26-31-22(36-4)15-23(32-26)37-5/h6-15H,1-5H3,(H,28,34)(H2,29,30,33,35)
InChIKeySVHAGKRZLZKDOS-UHFFFAOYSA-N
XLogP5.47
TPSA149.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.56
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide 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 N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide (CID 59381057) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide is COc1cc(OC)nc(Oc2ccccc2C(=O)Nc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)n1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide?
The InChIKey is SVHAGKRZLZKDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O6/c1-27(2,3)20-14-21(33-39-20)30-25(35)29-17-12-10-16(11-13-17)28-24(34)18-8-6-7-9-19(18)38-26-31-22(36-4)15-23(32-26)37-5/h6-15H,1-5H3,(H,28,34)(H2,29,30,33,35).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide has a molecular weight of 532.56 g/mol, XLogP of 5.47, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide is sourced from PubChem (CID 59381057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).