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

C21H22N4O3 — CID 11485752

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]benzamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)no1
InChIInChI=1S/C21H22N4O3/c1-21(2,3)17-13-18(25-28-17)24-20(27)23-16-11-9-15(10-12-16)22-19(26)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyROTBQIKMDLCWME-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.87
Rot. Bonds4

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]benzamide (PubChem CID 11485752) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]benzamide
PubChem CID11485752
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]benzamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)no1
InChIInChI=1S/C21H22N4O3/c1-21(2,3)17-13-18(25-28-17)24-20(27)23-16-11-9-15(10-12-16)22-19(26)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyROTBQIKMDLCWME-UHFFFAOYSA-N
XLogP4.87
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Soretolide
CID 198730
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)-2-naphthamide
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ST50939513
CID 2813558
4-tert-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 670749
Benzamide, N-(5-methyl-3-isoxazolyl)-
CID 569560
N-(5-methylisoxazol-3-yl)[(4-methylphenyl)amino]carboxamide
CID 728587
N-(5-Methyl-3-isoxazolyl)-4-nitrobenzamide
CID 739602
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 840302
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide
CID 889538
4-[(cyclopropylcarbonyl)amino]-N-(5-methyl-3-isoxazolyl)benzamide
CID 934489
N-(5-Methyl-3-isoxazolyl)-3,5-dinitrobenzamide
CID 1927297
N-(5-Methyl-isoxazol-3-yl)-3-p-tolylsulfamoyl-benzamide
CID 1253133

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]benzamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]benzamide (CID 11485752) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]benzamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]benzamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]benzamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)no1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]benzamide?
The InChIKey is ROTBQIKMDLCWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-21(2,3)17-13-18(25-28-17)24-20(27)23-16-11-9-15(10-12-16)22-19(26)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]benzamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 4.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]benzamide is sourced from PubChem (CID 11485752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).