N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide

C22H20N4O3S — CID 55620257

IUPACN-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCC(C)c1nc2cc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)ccc2o1
InChIInChI=1S/C22H20N4O3S/c1-13(2)21-25-17-10-15(8-9-18(17)29-21)23-19(27)11-16-12-30-22(24-16)26-20(28)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,23,27)(H,24,26,28)
InChIKeyPLQUQUQTFMFXHT-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.84
Rot. Bonds6

About N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 55620257) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID55620257
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCC(C)c1nc2cc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)ccc2o1
InChIInChI=1S/C22H20N4O3S/c1-13(2)21-25-17-10-15(8-9-18(17)29-21)23-19(27)11-16-12-30-22(24-16)26-20(28)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,23,27)(H,24,26,28)
InChIKeyPLQUQUQTFMFXHT-UHFFFAOYSA-N
XLogP4.84
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide (CID 55620257) is N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide is CC(C)c1nc2cc(NC(=O)Cc3csc(NC(=O)c4ccccc4)n3)ccc2o1.
What is the InChIKey of N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is PLQUQUQTFMFXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-13(2)21-25-17-10-15(8-9-18(17)29-21)23-19(27)11-16-12-30-22(24-16)26-20(28)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,23,27)(H,24,26,28).
What are the key properties of N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 420.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 55620257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).