ethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole

C40H64N6O3 — CID 163497097

IUPACethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole
SMILESC.C.CC.CC.CC.CC(C)C(=O)NCc1ccncc1.CC(C)c1ncc(-c2ccccn2)o1.CC(C)c1ncc(-c2cccnc2)o1
InChIInChI=1S/2C11H12N2O.C10H14N2O.3C2H6.2CH4/c1-8(2)11-13-7-10(14-11)9-4-3-5-12-6-9;1-8(2)11-13-7-10(14-11)9-5-3-4-6-12-9;1-8(2)10(13)12-7-9-3-5-11-6-4-9;3*1-2;;/h2*3-8H,1-2H3;3-6,8H,7H2,1-2H3,(H,12,13);3*1-2H3;2*1H4
InChIKeyCRQLOFCILWMXGO-UHFFFAOYSA-N
MW676.99 g/mol
LogP11.42
Rot. Bonds7

About ethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole

ethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole (PubChem CID 163497097) has the molecular formula C40H64N6O3 and a molecular weight of 676.99 g/mol. Its IUPAC name is ethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole.

Molecular Properties

Compound Nameethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole
PubChem CID163497097
Molecular FormulaC40H64N6O3
Molecular Weight676.99 g/mol
Exact Mass676.50
IUPAC Nameethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole
SMILESC.C.CC.CC.CC.CC(C)C(=O)NCc1ccncc1.CC(C)c1ncc(-c2ccccn2)o1.CC(C)c1ncc(-c2cccnc2)o1
InChIInChI=1S/2C11H12N2O.C10H14N2O.3C2H6.2CH4/c1-8(2)11-13-7-10(14-11)9-4-3-5-12-6-9;1-8(2)11-13-7-10(14-11)9-5-3-4-6-12-9;1-8(2)10(13)12-7-9-3-5-11-6-4-9;3*1-2;;/h2*3-8H,1-2H3;3-6,8H,7H2,1-2H3,(H,12,13);3*1-2H3;2*1H4
InChIKeyCRQLOFCILWMXGO-UHFFFAOYSA-N
XLogP11.42
TPSA119.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.99
LogP ≤ 511.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole?
The IUPAC name of ethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole (CID 163497097) is ethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole.
What is the SMILES notation for ethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole?
The canonical SMILES for ethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole is C.C.CC.CC.CC.CC(C)C(=O)NCc1ccncc1.CC(C)c1ncc(-c2ccccn2)o1.CC(C)c1ncc(-c2cccnc2)o1.
What is the InChIKey of ethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole?
The InChIKey is CRQLOFCILWMXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12N2O.C10H14N2O.3C2H6.2CH4/c1-8(2)11-13-7-10(14-11)9-4-3-5-12-6-9;1-8(2)11-13-7-10(14-11)9-5-3-4-6-12-9;1-8(2)10(13)12-7-9-3-5-11-6-4-9;3*1-2;;/h2*3-8H,1-2H3;3-6,8H,7H2,1-2H3,(H,12,13);3*1-2H3;2*1H4.
What are the key properties of ethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole?
ethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole has a molecular weight of 676.99 g/mol, XLogP of 11.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methyl-N-(pyridin-4-ylmethyl)propanamide;2-propan-2-yl-5-pyridin-2-yl-1,3-oxazole;2-propan-2-yl-5-pyridin-3-yl-1,3-oxazole is sourced from PubChem (CID 163497097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).