2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide

C21H23N5O4 — CID 67183958

IUPAC2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(CC(N)=O)c3)cc2)on1
InChIInChI=1S/C21H23N5O4/c1-21(2,3)17-12-19(30-26-17)25-20(28)24-13-4-6-15(7-5-13)29-16-8-9-23-14(10-16)11-18(22)27/h4-10,12H,11H2,1-3H3,(H2,22,27)(H2,24,25,28)
InChIKeyOHZPTKPPAGYVPQ-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.83
Rot. Bonds6

About 2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide

2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide (PubChem CID 67183958) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide
PubChem CID67183958
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(CC(N)=O)c3)cc2)on1
InChIInChI=1S/C21H23N5O4/c1-21(2,3)17-12-19(30-26-17)25-20(28)24-13-4-6-15(7-5-13)29-16-8-9-23-14(10-16)11-18(22)27/h4-10,12H,11H2,1-3H3,(H2,22,27)(H2,24,25,28)
InChIKeyOHZPTKPPAGYVPQ-UHFFFAOYSA-N
XLogP3.83
TPSA132.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide with MolForge

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Related Compounds

1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea
CID 59380959
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea
CID 143052561
1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea
CID 51030162
4-[4-[3-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58674488
1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea
CID 58659455
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-[4-[[6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-3-pyridinyl]oxy]phenyl]urea
CID 59600484
N-[4-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-2-pyridinyl]-N-methylformamide
CID 87300976
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7603982
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-prop-2-enoxyphenyl)acetamide
CID 59420462
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
[4-[[6-[[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenyl]carbamoyl]-3-pyridinyl]oxy]-1-ethylpiperidin-1-ium-1-yl] methanesulfonate
CID 87279249
1-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]-3-(4-methylphenyl)urea
CID 58659449

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide?
The IUPAC name of 2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide (CID 67183958) is 2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide?
The canonical SMILES for 2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(CC(N)=O)c3)cc2)on1.
What is the InChIKey of 2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide?
The InChIKey is OHZPTKPPAGYVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-21(2,3)17-12-19(30-26-17)25-20(28)24-13-4-6-15(7-5-13)29-16-8-9-23-14(10-16)11-18(22)27/h4-10,12H,11H2,1-3H3,(H2,22,27)(H2,24,25,28).
What are the key properties of 2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide?
2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide has a molecular weight of 409.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 67183958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).