N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide

C26H27N5O5 — CID 143053328

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
SMILESCOc1cc(OC)nc(Oc2ccccc2C(=O)Nc2ccc(Nc3cc(C(C)(C)C)on3)cc2)n1
InChIInChI=1S/C26H27N5O5/c1-26(2,3)20-14-21(31-36-20)27-16-10-12-17(13-11-16)28-24(32)18-8-6-7-9-19(18)35-25-29-22(33-4)15-23(30-25)34-5/h6-15H,1-5H3,(H,27,31)(H,28,32)
InChIKeyXLUOAEQUTBGZAF-UHFFFAOYSA-N
MW489.53 g/mol
LogP5.57
Rot. Bonds8

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide (PubChem CID 143053328) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
PubChem CID143053328
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
SMILESCOc1cc(OC)nc(Oc2ccccc2C(=O)Nc2ccc(Nc3cc(C(C)(C)C)on3)cc2)n1
InChIInChI=1S/C26H27N5O5/c1-26(2,3)20-14-21(31-36-20)27-16-10-12-17(13-11-16)28-24(32)18-8-6-7-9-19(18)35-25-29-22(33-4)15-23(30-25)34-5/h6-15H,1-5H3,(H,27,31)(H,28,32)
InChIKeyXLUOAEQUTBGZAF-UHFFFAOYSA-N
XLogP5.57
TPSA120.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.53
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxamide
CID 59380981
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzamide
CID 59380944
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
CID 11237916
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,3-dimethoxybenzamide
CID 35281552
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide
CID 143053482
N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide
CID 4152975
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 59381091
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422
methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate
CID 20788772
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide
CID 4152971

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide (CID 143053328) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide is COc1cc(OC)nc(Oc2ccccc2C(=O)Nc2ccc(Nc3cc(C(C)(C)C)on3)cc2)n1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide?
The InChIKey is XLUOAEQUTBGZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-26(2,3)20-14-21(31-36-20)27-16-10-12-17(13-11-16)28-24(32)18-8-6-7-9-19(18)35-25-29-22(33-4)15-23(30-25)34-5/h6-15H,1-5H3,(H,27,31)(H,28,32).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide has a molecular weight of 489.53 g/mol, XLogP of 5.57, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide is sourced from PubChem (CID 143053328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).