cyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea

C18H30N6O3 — CID 164880052

IUPACcyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea
SMILESC1CCCC1.CC(C)NC(N)=O.Cc1cc(CC(=O)Nc2ccn[nH]2)on1
InChIInChI=1S/C9H10N4O2.C5H10.C4H10N2O/c1-6-4-7(15-13-6)5-9(14)11-8-2-3-10-12-8;1-2-4-5-3-1;1-3(2)6-4(5)7/h2-4H,5H2,1H3,(H2,10,11,12,14);1-5H2;3H,1-2H3,(H3,5,6,7)
InChIKeyZURXXIQJFDWOHZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.90
Rot. Bonds4

About cyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea

cyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea (PubChem CID 164880052) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is cyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea.

Molecular Properties

Compound Namecyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea
PubChem CID164880052
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC Namecyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea
SMILESC1CCCC1.CC(C)NC(N)=O.Cc1cc(CC(=O)Nc2ccn[nH]2)on1
InChIInChI=1S/C9H10N4O2.C5H10.C4H10N2O/c1-6-4-7(15-13-6)5-9(14)11-8-2-3-10-12-8;1-2-4-5-3-1;1-3(2)6-4(5)7/h2-4H,5H2,1H3,(H2,10,11,12,14);1-5H2;3H,1-2H3,(H3,5,6,7)
InChIKeyZURXXIQJFDWOHZ-UHFFFAOYSA-N
XLogP2.90
TPSA138.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea?
The IUPAC name of cyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea (CID 164880052) is cyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea.
What is the SMILES notation for cyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea?
The canonical SMILES for cyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea is C1CCCC1.CC(C)NC(N)=O.Cc1cc(CC(=O)Nc2ccn[nH]2)on1.
What is the InChIKey of cyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea?
The InChIKey is ZURXXIQJFDWOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2.C5H10.C4H10N2O/c1-6-4-7(15-13-6)5-9(14)11-8-2-3-10-12-8;1-2-4-5-3-1;1-3(2)6-4(5)7/h2-4H,5H2,1H3,(H2,10,11,12,14);1-5H2;3H,1-2H3,(H3,5,6,7).
What are the key properties of cyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea?
cyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea has a molecular weight of 378.48 g/mol, XLogP of 2.90, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide;propan-2-ylurea is sourced from PubChem (CID 164880052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).