N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide

C20H19ClN4O3 — CID 59420530

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(NC(=O)c3cccc(Cl)n3)cc2)no1
InChIInChI=1S/C20H19ClN4O3/c1-20(2,3)15-11-17(25-28-15)24-18(26)12-7-9-13(10-8-12)22-19(27)14-5-4-6-16(21)23-14/h4-11H,1-3H3,(H,22,27)(H,24,25,26)
InChIKeyWSTGZMANHUAVQA-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.53
Rot. Bonds4

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide (PubChem CID 59420530) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide
PubChem CID59420530
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(NC(=O)c3cccc(Cl)n3)cc2)no1
InChIInChI=1S/C20H19ClN4O3/c1-20(2,3)15-11-17(25-28-15)24-18(26)12-7-9-13(10-8-12)22-19(27)14-5-4-6-16(21)23-14/h4-11H,1-3H3,(H,22,27)(H,24,25,26)
InChIKeyWSTGZMANHUAVQA-UHFFFAOYSA-N
XLogP4.53
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422
6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide
CID 54760984
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
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]-4-ethylbenzamide
CID 11441130
4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
CID 59420454
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)oxy]phenyl]-4-chlorobenzamide
CID 143053139
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 62234186
N-(3-tert-butyl-1,2-oxazol-5-yl)-6-chloropyridine-2-carboxamide
CID 62234760
N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62239245

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide (CID 59420530) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide is CC(C)(C)c1cc(NC(=O)c2ccc(NC(=O)c3cccc(Cl)n3)cc2)no1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide?
The InChIKey is WSTGZMANHUAVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-20(2,3)15-11-17(25-28-15)24-18(26)12-7-9-13(10-8-12)22-19(27)14-5-4-6-16(21)23-14/h4-11H,1-3H3,(H,22,27)(H,24,25,26).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide is sourced from PubChem (CID 59420530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).