5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide

C17H22N4O3 — CID 75514521

IUPAC5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C17H22N4O3/c1-10(2)15-9-14(21-24-15)16(22)19-12-7-5-6-8-13(12)20-17(23)18-11(3)4/h5-11H,1-4H3,(H,19,22)(H2,18,20,23)
InChIKeyUGNXWPJEDZMCMM-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.58
Rot. Bonds5

About 5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide

5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 75514521) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID75514521
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C17H22N4O3/c1-10(2)15-9-14(21-24-15)16(22)19-12-7-5-6-8-13(12)20-17(23)18-11(3)4/h5-11H,1-4H3,(H,19,22)(H2,18,20,23)
InChIKeyUGNXWPJEDZMCMM-UHFFFAOYSA-N
XLogP3.58
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-propan-2-yl-N-quinolin-8-yl-1,2-oxazole-3-carboxamide
CID 75538115
N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 3076174
N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 75497361
3-phenyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-2,1-benzoxazole-5-carboxamide
CID 60555246
N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 59232393
N-(3,4-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253289
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
5-propan-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 155912764
5-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 38999572
1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
CID 23548353
3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911360
N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-propan-2-ylsulfanylbenzamide
CID 55963798

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide (CID 75514521) is 5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide is CC(C)NC(=O)Nc1ccccc1NC(=O)c1cc(C(C)C)on1.
What is the InChIKey of 5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is UGNXWPJEDZMCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10(2)15-9-14(21-24-15)16(22)19-12-7-5-6-8-13(12)20-17(23)18-11(3)4/h5-11H,1-4H3,(H,19,22)(H2,18,20,23).
What are the key properties of 5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide?
5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75514521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).