N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide

C24H21N5O3 — CID 59813569

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cccc3cc(Oc4ncnc5[nH]ccc45)ccc23)no1
InChIInChI=1S/C24H21N5O3/c1-24(2,3)19-12-20(29-32-19)28-22(30)17-6-4-5-14-11-15(7-8-16(14)17)31-23-18-9-10-25-21(18)26-13-27-23/h4-13H,1-3H3,(H,25,26,27)(H,28,29,30)
InChIKeyMLMQVJFRFIAELJ-UHFFFAOYSA-N
MW427.46 g/mol
LogP5.44
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide (PubChem CID 59813569) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide
PubChem CID59813569
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2cccc3cc(Oc4ncnc5[nH]ccc45)ccc23)no1
InChIInChI=1S/C24H21N5O3/c1-24(2,3)19-12-20(29-32-19)28-22(30)17-6-4-5-14-11-15(7-8-16(14)17)31-23-18-9-10-25-21(18)26-13-27-23/h4-13H,1-3H3,(H,25,26,27)(H,28,29,30)
InChIKeyMLMQVJFRFIAELJ-UHFFFAOYSA-N
XLogP5.44
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.46
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 59813417
6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 59813523
N-(5-tert-butyl-1,2-oxazol-3-yl)-6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxamide
CID 59813849
N-[3-[2-(dimethylamino)ethyl]phenyl]-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide
CID 59813871
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide
CID 35281552
N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide
CID 59813234
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394335
N-(4-tert-butylphenyl)-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23653203
7-methoxy-4-[5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 169101843
5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide
CID 59394705
2,2,2-trifluoro-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]acetamide
CID 170214177
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[2-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]urea
CID 164595330

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide (CID 59813569) is N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide is CC(C)(C)c1cc(NC(=O)c2cccc3cc(Oc4ncnc5[nH]ccc45)ccc23)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide?
The InChIKey is MLMQVJFRFIAELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-24(2,3)19-12-20(29-32-19)28-22(30)17-6-4-5-14-11-15(7-8-16(14)17)31-23-18-9-10-25-21(18)26-13-27-23/h4-13H,1-3H3,(H,25,26,27)(H,28,29,30).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide is sourced from PubChem (CID 59813569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).