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

C21H22N4O3 — CID 46883422

IUPAC4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)no1
InChIInChI=1S/C21H22N4O3/c1-21(2,3)17-13-18(25-28-17)24-20(27)23-16-11-9-14(10-12-16)19(26)22-15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyKXJGDQGCCWDCED-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.87
Rot. Bonds4

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

4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide (PubChem CID 46883422) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
PubChem CID46883422
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)no1
InChIInChI=1S/C21H22N4O3/c1-21(2,3)17-13-18(25-28-17)24-20(27)23-16-11-9-14(10-12-16)19(26)22-15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyKXJGDQGCCWDCED-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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide
CID 46883461
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-ethylbenzamide
CID 11441130
3-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 108812205
2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 11329134
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-difluorobenzamide
CID 59381141
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide
CID 59381180
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 135471279
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]thiadiazole-4-carboxamide
CID 59380993
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)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide
CID 59420530

Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide?
The IUPAC name of 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide (CID 46883422) is 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide.
What is the SMILES notation for 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide?
The canonical SMILES for 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)no1.
What is the InChIKey of 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide?
The InChIKey is KXJGDQGCCWDCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-21(2,3)17-13-18(25-28-17)24-20(27)23-16-11-9-14(10-12-16)19(26)22-15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide?
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide 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 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide is sourced from PubChem (CID 46883422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).