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

C25H24N4O3 — CID 11339372

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]naphthalene-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)no1
InChIInChI=1S/C25H24N4O3/c1-25(2,3)21-15-22(29-32-21)28-24(31)27-20-12-10-19(11-13-20)26-23(30)18-9-8-16-6-4-5-7-17(16)14-18/h4-15H,1-3H3,(H,26,30)(H2,27,28,29,31)
InChIKeyDXYXGWPMYTZPKE-UHFFFAOYSA-N
MW428.49 g/mol
LogP6.02
Rot. Bonds4

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]naphthalene-2-carboxamide (PubChem CID 11339372) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]naphthalene-2-carboxamide
PubChem CID11339372
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]naphthalene-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)no1
InChIInChI=1S/C25H24N4O3/c1-25(2,3)21-15-22(29-32-21)28-24(31)27-20-12-10-19(11-13-20)26-23(30)18-9-8-16-6-4-5-7-17(16)14-18/h4-15H,1-3H3,(H,26,30)(H2,27,28,29,31)
InChIKeyDXYXGWPMYTZPKE-UHFFFAOYSA-N
XLogP6.02
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 56.02
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)benzamide
CID 11485752
4-tert-butyl-N-(5-methyl-3-isoxazolyl)benzamide
CID 670749
3-(5-Methyl-1,2-oxazol-3-YL)-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]urea
CID 20924386
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)-2-phenylacetamide
CID 46883324
4-(3-(5-tert-butylisoxazol-3-yl)ureido)-N-phenylbenzamide
CID 46883422
N-(5-methyl-1,2-oxazol-3-yl)-[1,1'-biphenyl]-4-carboxamide
CID 670727
4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(5-methyl-3-isoxazolyl)butanamide
CID 2972876
3,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 670706
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-methylphenyl)acetamide
CID 6467803
US9926282, Example 27
CID 145995137
US9926282, Example 278
CID 145995374

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]naphthalene-2-carboxamide (CID 11339372) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]naphthalene-2-carboxamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)no1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]naphthalene-2-carboxamide?
The InChIKey is DXYXGWPMYTZPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-25(2,3)21-15-22(29-32-21)28-24(31)27-20-12-10-19(11-13-20)26-23(30)18-9-8-16-6-4-5-7-17(16)14-18/h4-15H,1-3H3,(H,26,30)(H2,27,28,29,31).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]naphthalene-2-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]naphthalene-2-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 6.02, 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]naphthalene-2-carboxamide is sourced from PubChem (CID 11339372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).