cyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide

C20H32FN5O4 — CID 169142898

IUPACcyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide
SMILESC1CCCC1.CC1(NC(=O)O)CC1.CF.Cc1cc(CC(=O)Nc2ccn[nH]2)on1
InChIInChI=1S/C9H10N4O2.C5H9NO2.C5H10.CH3F/c1-6-4-7(15-13-6)5-9(14)11-8-2-3-10-12-8;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1;1-2/h2-4H,5H2,1H3,(H2,10,11,12,14);6H,2-3H2,1H3,(H,7,8);1-5H2;1H3
InChIKeySHWLIGILXUOWAD-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.23
Rot. Bonds4

About cyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide

cyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 169142898) has the molecular formula C20H32FN5O4 and a molecular weight of 425.51 g/mol. Its IUPAC name is cyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Namecyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide
PubChem CID169142898
Molecular FormulaC20H32FN5O4
Molecular Weight425.51 g/mol
Exact Mass425.24
IUPAC Namecyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide
SMILESC1CCCC1.CC1(NC(=O)O)CC1.CF.Cc1cc(CC(=O)Nc2ccn[nH]2)on1
InChIInChI=1S/C9H10N4O2.C5H9NO2.C5H10.CH3F/c1-6-4-7(15-13-6)5-9(14)11-8-2-3-10-12-8;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1;1-2/h2-4H,5H2,1H3,(H2,10,11,12,14);6H,2-3H2,1H3,(H,7,8);1-5H2;1H3
InChIKeySHWLIGILXUOWAD-UHFFFAOYSA-N
XLogP4.23
TPSA133.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of cyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide (CID 169142898) is cyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for cyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for cyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide is C1CCCC1.CC1(NC(=O)O)CC1.CF.Cc1cc(CC(=O)Nc2ccn[nH]2)on1.
What is the InChIKey of cyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is SHWLIGILXUOWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2.C5H9NO2.C5H10.CH3F/c1-6-4-7(15-13-6)5-9(14)11-8-2-3-10-12-8;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1;1-2/h2-4H,5H2,1H3,(H2,10,11,12,14);6H,2-3H2,1H3,(H,7,8);1-5H2;1H3.
What are the key properties of cyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide?
cyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 425.51 g/mol, XLogP of 4.23, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 169142898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).