4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide

C23H25N3O3 — CID 59420454

IUPAC4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)cc1
InChIInChI=1S/C23H25N3O3/c1-15-5-11-18(12-6-15)24-22(28)17-9-7-16(8-10-17)13-21(27)25-20-14-19(29-26-20)23(2,3)4/h5-12,14H,13H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyHWMSFVIWWFDMQJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.71
Rot. Bonds5

About 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide

4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide (PubChem CID 59420454) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
PubChem CID59420454
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)cc1
InChIInChI=1S/C23H25N3O3/c1-15-5-11-18(12-6-15)24-22(28)17-9-7-16(8-10-17)13-21(27)25-20-14-19(29-26-20)23(2,3)4/h5-12,14H,13H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyHWMSFVIWWFDMQJ-UHFFFAOYSA-N
XLogP4.71
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]benzamide
CID 59420609
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-ethylbenzamide
CID 11441130
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide
CID 46883461
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide
CID 100591745
4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride
CID 54760815
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 59420682
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472
1-N'-(5-tert-butyl-1,2-oxazol-3-yl)-1-N-(4-methylphenyl)ethene-1,1-diamine
CID 143052390
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59420709
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide
CID 59420495
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide
CID 59420530

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide (CID 59420454) is 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)cc1.
What is the InChIKey of 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide?
The InChIKey is HWMSFVIWWFDMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-5-11-18(12-6-15)24-22(28)17-9-7-16(8-10-17)13-21(27)25-20-14-19(29-26-20)23(2,3)4/h5-12,14H,13H2,1-4H3,(H,24,28)(H,25,26,27).
What are the key properties of 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide?
4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 59420454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).