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

C22H24N4O3 — CID 46883324

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-phenylacetamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)no1
InChIInChI=1S/C22H24N4O3/c1-22(2,3)18-14-19(26-29-18)25-21(28)24-17-11-9-16(10-12-17)23-20(27)13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,23,27)(H2,24,25,26,28)
InChIKeyMAMKLAWALATLAJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.80
Rot. Bonds5

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-phenylacetamide (PubChem CID 46883324) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-phenylacetamide
PubChem CID46883324
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-phenylacetamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)no1
InChIInChI=1S/C22H24N4O3/c1-22(2,3)18-14-19(26-29-18)25-21(28)24-17-11-9-16(10-12-17)23-20(27)13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,23,27)(H2,24,25,26,28)
InChIKeyMAMKLAWALATLAJ-UHFFFAOYSA-N
XLogP4.80
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.80
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
CID 11339372
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)benzamide
CID 11485752
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
Cim-0216
CID 42887770
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-phenylacetamide (CID 46883324) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-phenylacetamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)no1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-phenylacetamide?
The InChIKey is MAMKLAWALATLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-22(2,3)18-14-19(26-29-18)25-21(28)24-17-11-9-16(10-12-17)23-20(27)13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,23,27)(H2,24,25,26,28).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-phenylacetamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-phenylacetamide has a molecular weight of 392.46 g/mol, XLogP of 4.80, 5 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-phenylacetamide is sourced from PubChem (CID 46883324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).