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

C21H20Cl2N4O3 — CID 59381180

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)no1
InChIInChI=1S/C21H20Cl2N4O3/c1-21(2,3)16-11-17(27-30-16)26-20(29)25-13-9-7-12(8-10-13)24-19(28)18-14(22)5-4-6-15(18)23/h4-11H,1-3H3,(H,24,28)(H2,25,26,27,29)
InChIKeyCGGKDLUJBMMAOD-UHFFFAOYSA-N
MW447.32 g/mol
LogP6.18
Rot. Bonds4

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide (PubChem CID 59381180) has the molecular formula C21H20Cl2N4O3 and a molecular weight of 447.32 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide
PubChem CID59381180
Molecular FormulaC21H20Cl2N4O3
Molecular Weight447.32 g/mol
Exact Mass446.09
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)no1
InChIInChI=1S/C21H20Cl2N4O3/c1-21(2,3)16-11-17(27-30-16)26-20(29)25-13-9-7-12(8-10-13)24-19(28)18-14(22)5-4-6-15(18)23/h4-11H,1-3H3,(H,24,28)(H2,25,26,27,29)
InChIKeyCGGKDLUJBMMAOD-UHFFFAOYSA-N
XLogP6.18
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.32
LogP ≤ 56.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-difluorobenzamide
CID 59381141
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]thiadiazole-4-carboxamide
CID 59380993
6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide
CID 54760984
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(2-chlorophenyl)prop-2-enamide
CID 72962930
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide
CID 46883461
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-6-(methylaminomethyl)pyridine-2-carboxamide
CID 70649792
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 150862884
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-ethylbenzamide
CID 11441130
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylsulfinylphenyl)urea
CID 59380965

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide (CID 59381180) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)no1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide?
The InChIKey is CGGKDLUJBMMAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O3/c1-21(2,3)16-11-17(27-30-16)26-20(29)25-13-9-7-12(8-10-13)24-19(28)18-14(22)5-4-6-15(18)23/h4-11H,1-3H3,(H,24,28)(H2,25,26,27,29).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide has a molecular weight of 447.32 g/mol, XLogP of 6.18, 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]-2,6-dichlorobenzamide is sourced from PubChem (CID 59381180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).