N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C18H22N4O3 — CID 126786726

IUPACN-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCn1nc(CC(C)(C)C)cc1NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C18H22N4O3/c1-18(2,3)10-12-9-15(21(4)20-12)19-16(23)11-22-13-7-5-6-8-14(13)25-17(22)24/h5-9H,10-11H2,1-4H3,(H,19,23)
InChIKeySCXHKISVXHWWHO-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.56
Rot. Bonds4

About N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 126786726) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID126786726
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCn1nc(CC(C)(C)C)cc1NC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C18H22N4O3/c1-18(2,3)10-12-9-15(21(4)20-12)19-16(23)11-22-13-7-5-6-8-14(13)25-17(22)24/h5-9H,10-11H2,1-4H3,(H,19,23)
InChIKeySCXHKISVXHWWHO-UHFFFAOYSA-N
XLogP2.56
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60519288
2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 61262096
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1081528
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(propan-2-ylideneamino)acetamide
CID 89398509
N-tert-butyl-4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 15991852
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 48507067
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1293188
N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 79194815
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115680796
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1096304

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 126786726) is N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is Cn1nc(CC(C)(C)C)cc1NC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is SCXHKISVXHWWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-18(2,3)10-12-9-15(21(4)20-12)19-16(23)11-22-13-7-5-6-8-14(13)25-17(22)24/h5-9H,10-11H2,1-4H3,(H,19,23).
What are the key properties of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 126786726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).